N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-nitro-benzamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-3-nitro-benzamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]-3-nitro-benzamide Formula: C29H31N5O5 MolecularWeight: 529.58694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N5CCCC5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N5CCCC5

InChI

InChI=1S/C29H31N5O5/c1-39-27-10-3-2-9-26(27)32-17-15-31(16-18-32)25-12-11-22(20-24(25)29(36)33-13-4-5-14-33)30-28(35)21-7-6-8-23(19-21)34(37)38/h2-3,6-12,19-20H,4-5,13-18H2,1H3,(H,30,35)