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

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazino]phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C28H30ClN5O3 MolecularWeight: 520.0225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H30ClN5O3/c29-25-6-2-1-5-22(25)20-31-15-17-32(18-16-31)24-10-8-23(9-11-24)30-28(35)21-7-12-26(27(19-21)34(36)37)33-13-3-4-14-33/h1-2,5-12,19H,3-4,13-18,20H2,(H,30,35)