4-(3-cyanophenyl)carbonyl-N-propyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyanophenyl)carbonyl-N-propyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyanobenzoyl)-N-propyl-1,4-diazepane-1-carboxamide CAS Name: 4-[(3-cyanophenyl)-oxomethyl]-N-propyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyanobenzoyl)-N-propyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyanobenzoyl)-N-propyl-1,4-diazepane-1-carboxamide Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCCN(CC1)C(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCCNC(=O)N1CCCN(CC1)C(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H22N4O2/c1-2-7-19-17(23)21-9-4-8-20(10-11-21)16(22)15-6-3-5-14(12-15)13-18/h3,5-6,12H,2,4,7-11H2,1H3,(H,19,23)