N-(3-cyanophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(3-cyanophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(3-cyanophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(3-cyanophenyl)-4-[4-(4-methoxyphenyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(3-cyanophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(3-cyanophenyl)-4-[4-(4-methoxyphenyl)piperazino]-3-nitro-benzamide Formula: C25H23N5O4 MolecularWeight: 457.48122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O4/c1-34-22-8-6-21(7-9-22)28-11-13-29(14-12-28)23-10-5-19(16-24(23)30(32)33)25(31)27-20-4-2-3-18(15-20)17-26/h2-10,15-16H,11-14H2,1H3,(H,27,31)