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

Systemtic Name: 4-(4-nitrophenyl)carbonyl-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-nitrophenyl)-oxomethyl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c25-19(17-7-9-18(10-8-17)24(27)28)22-11-4-12-23(14-13-22)20(26)21-15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H,21,26)