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

Systemtic Name: N-(4-nitrophenyl)-4-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-benzyl-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-nitrophenyl)-4-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-benzyl-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-benzyl-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C19H22N4O3 MolecularWeight: 354.40298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3/c24-19(20-17-7-9-18(10-8-17)23(25)26)22-12-4-11-21(13-14-22)15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H,20,24)