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

Systemtic Name: N-(cyclopropylmethyl)-4-(4-nitrophenyl)carbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(cyclopropylmethyl)-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide CAS Name: N-(cyclopropylmethyl)-4-[(4-nitrophenyl)-oxomethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(cyclopropylmethyl)-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(cyclopropylmethyl)-4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxamide Formula: C17H22N4O4 MolecularWeight: 346.38098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4/c22-16(14-4-6-15(7-5-14)21(24)25)19-8-1-9-20(11-10-19)17(23)18-12-13-2-3-13/h4-7,13H,1-3,8-12H2,(H,18,23)