4-[(3-methylphenyl)methyl]-1-(1-pyridin-2-ylpiperidin-3-yl)carbonyl-1,4-diazepan-5-one

Systemtic Name: 4-[(3-methylphenyl)methyl]-1-(1-pyridin-2-ylpiperidin-3-yl)carbonyl-1,4-diazepan-5-one Openeye Name: 4-(m-tolylmethyl)-1-[1-(2-pyridyl)piperidine-3-carbonyl]-1,4-diazepan-5-one CAS Name: 4-[(3-methylphenyl)methyl]-1-[oxo-[1-(2-pyridinyl)-3-piperidinyl]methyl]-1,4-diazepan-5-one IUPAC Name: 4-[(3-methylphenyl)methyl]-1-(1-pyridin-2-ylpiperidine-3-carbonyl)-1,4-diazepan-5-one Traditional Name: 4-(3-methylbenzyl)-1-[1-(2-pyridyl)nipecotoyl]-1,4-diazepan-5-one Formula: C24H30N4O2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3CCCN(C3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3CCCN(C3)C4=CC=CC=N4

InChI

InChI=1S/C24H30N4O2/c1-19-6-4-7-20(16-19)17-28-15-14-26(13-10-23(28)29)24(30)21-8-5-12-27(18-21)22-9-2-3-11-25-22/h2-4,6-7,9,11,16,21H,5,8,10,12-15,17-18H2,1H3