N-[3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]ethanamide

Systemtic Name: N-[3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]ethanamide Openeye Name: N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]acetamide CAS Name: N-[3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]acetamide Traditional Name: N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]acetamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-17(25)22-20-10-5-9-19(15-20)21(26)24-12-6-11-23(13-14-24)16-18-7-3-2-4-8-18/h2-5,7-10,15H,6,11-14,16H2,1H3,(H,22,25)