N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-3-nitro-4-phenylazanyl-benzamide

Systemtic Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-3-nitro-4-phenylazanyl-benzamide Openeye Name: 4-anilino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-3-nitro-benzamide CAS Name: 4-anilino-N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-anilino-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-3-nitrobenzamide Traditional Name: 4-anilino-N-[[6-(4-methylpiperazino)-3-pyridyl]methyl]-3-nitro-benzamide Formula: C24H26N6O3 MolecularWeight: 446.50164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O3/c1-28-11-13-29(14-12-28)23-10-7-18(16-25-23)17-26-24(31)19-8-9-21(22(15-19)30(32)33)27-20-5-3-2-4-6-20/h2-10,15-16,27H,11-14,17H2,1H3,(H,26,31)