T4Y

1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one

Created:	2020-03-16
Last modified:	2024-09-27

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1 entries where T4Y is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of T4Y

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Chemical Component Summary
Name	1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one
Systematic Name (OpenEye OEToolkits)	1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanone
Formula	C₁₅ H₂₂ N₂ O
Molecular Weight	246.348
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N2(CCCN(Cc1ccccc1C)CC2)C(=O)C
SMILES	CACTVS	3.385	CC(=O)N1CCCN(CC1)Cc2ccccc2C
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccccc1CN2CCCN(CC2)C(=O)C
Canonical SMILES	CACTVS	3.385	CC(=O)N1CCCN(CC1)Cc2ccccc2C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccccc1CN2CCCN(CC2)C(=O)C
InChI	InChI	1.03	InChI=1S/C15H22N2O/c1-13-6-3-4-7-15(13)12-16-8-5-9-17(11-10-16)14(2)18/h3-4,6-7H,5,8-12H2,1-2H3
InChIKey	InChI	1.03	ADMDDIGRGVTLSU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	52361231

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