N-(1-cyanocyclopentyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]acetamide Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)CC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)CC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C21H30N4O/c1-18-7-2-3-8-19(18)15-24-11-6-12-25(14-13-24)16-20(26)23-21(17-22)9-4-5-10-21/h2-3,7-8H,4-6,9-16H2,1H3,(H,23,26)