N-[3-azanyl-1-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-amino-1-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-oxo-propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-(4-phenyl-1-piperazinyl)phenyl]-3-oxopropyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-oxopropyl]-3,5-dimethylbenzamide Traditional Name: N-[3-amino-3-keto-1-[3-nitro-4-(4-phenylpiperazino)phenyl]propyl]-3,5-dimethyl-benzamide Formula: C28H31N5O4 MolecularWeight: 501.57684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H31N5O4/c1-19-14-20(2)16-22(15-19)28(35)30-24(18-27(29)34)21-8-9-25(26(17-21)33(36)37)32-12-10-31(11-13-32)23-6-4-3-5-7-23/h3-9,14-17,24H,10-13,18H2,1-2H3,(H2,29,34)(H,30,35)