2-[6-azanyl-7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]-N-methyl-3-phenyl-propanamide

Systemtic Name: 2-[6-azanyl-7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]-N-methyl-3-phenyl-propanamide Openeye Name: 2-(6-amino-4-benzyl-7-oxo-1,4-diazepan-1-yl)-N-methyl-3-phenyl-propanamide CAS Name: 2-[6-amino-7-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]-N-methyl-3-phenylpropanamide IUPAC Name: 2-(6-amino-4-benzyl-7-oxo-1,4-diazepan-1-yl)-N-methyl-3-phenylpropanamide Traditional Name: 2-(6-amino-4-benzyl-7-keto-1,4-diazepan-1-yl)-N-methyl-3-phenyl-propionamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)N2CCN(CC(C2=O)N)CC3=CC=CC=C3

Isomeric SMILES

CNC(=O)C(CC1=CC=CC=C1)N2CCN(CC(C2=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-24-21(27)20(14-17-8-4-2-5-9-17)26-13-12-25(16-19(23)22(26)28)15-18-10-6-3-7-11-18/h2-11,19-20H,12-16,23H2,1H3,(H,24,27)