N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[3-[(4,6-dimethyl-2-pyrimidinyl)oxy]phenyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C24H26N6O4 MolecularWeight: 462.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)OC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)OC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-])C

InChI

InChI=1S/C24H26N6O4/c1-16-13-17(2)26-24(25-16)34-20-6-4-5-19(15-20)27-23(31)18-7-8-21(22(14-18)30(32)33)29-11-9-28(3)10-12-29/h4-8,13-15H,9-12H2,1-3H3,(H,27,31)