N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]phenyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazino]phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C28H30ClN5O3 MolecularWeight: 520.0225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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