4-(4-nitrophenyl)carbonyl-N-propyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-nitrophenyl)carbonyl-N-propyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(4-nitrobenzoyl)-N-propyl-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-nitrophenyl)-oxomethyl]-N-propyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-nitrobenzoyl)-N-propyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-nitrobenzoyl)-N-propyl-1,4-diazepane-1-carboxamide Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4/c1-2-8-17-16(22)19-10-3-9-18(11-12-19)15(21)13-4-6-14(7-5-13)20(23)24/h4-7H,2-3,8-12H2,1H3,(H,17,22)