4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-nitro-benzamide

Systemtic Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-nitro-benzamide Openeye Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3-nitro-benzamide CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-nitrobenzamide IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-nitrobenzamide Traditional Name: 4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3-nitro-benzamide Formula: C29H30N8O3 MolecularWeight: 538.6003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)[N+](=O)[O-])NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)[N+](=O)[O-])NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C29H30N8O3/c1-20-5-8-24(17-26(20)34-29-31-11-9-25(33-29)22-4-3-10-30-18-22)32-28(38)21-6-7-23(27(16-21)37(39)40)19-36-14-12-35(2)13-15-36/h3-11,16-18H,12-15,19H2,1-2H3,(H,32,38)(H,31,33,34)