N-[3-azanyl-1-[3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-amino-1-[4-(4-benzyl-1-piperidyl)-3-nitro-phenyl]-3-oxo-propyl]benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-3-oxopropyl]benzamide IUPAC Name: N-[3-amino-1-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-3-oxopropyl]benzamide Traditional Name: N-[3-amino-1-[4-(4-benzylpiperidino)-3-nitro-phenyl]-3-keto-propyl]benzamide Formula: C28H30N4O4 MolecularWeight: 486.5622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H30N4O4/c29-27(33)19-24(30-28(34)22-9-5-2-6-10-22)23-11-12-25(26(18-23)32(35)36)31-15-13-21(14-16-31)17-20-7-3-1-4-8-20/h1-12,18,21,24H,13-17,19H2,(H2,29,33)(H,30,34)