N-[(2-chlorophenyl)methyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Openeye Name: N-[(2-chlorophenyl)methyl]-3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]benzamide CAS Name: N-[(2-chlorophenyl)methyl]-3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzamide IUPAC Name: N-[(2-chlorophenyl)methyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Traditional Name: N-(2-chlorobenzyl)-3-nitro-4-[4-(2-pyridyl)piperazino]benzamide Formula: C23H22ClN5O3 MolecularWeight: 451.90548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3Cl)[N+](=O)[O-])C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3Cl)[N+](=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C23H22ClN5O3/c24-19-6-2-1-5-18(19)16-26-23(30)17-8-9-20(21(15-17)29(31)32)27-11-13-28(14-12-27)22-7-3-4-10-25-22/h1-10,15H,11-14,16H2,(H,26,30)