[2-(4-chlorophenyl)-4-methyl-6-(3-nitrophenyl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [2-(4-chlorophenyl)-4-methyl-6-(3-nitrophenyl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [2-(4-chlorophenyl)-4-methyl-6-(3-nitrophenyl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [2-(4-chlorophenyl)-4-methyl-6-(3-nitrophenyl)-5-pyrimidinyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [2-(4-chlorophenyl)-4-methyl-6-(3-nitrophenyl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [2-(4-chlorophenyl)-4-methyl-6-(3-nitrophenyl)pyrimidin-5-yl]-(4-methylpiperazino)methanone Formula: C23H22ClN5O3 MolecularWeight: 451.90548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)N2CCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)N2CCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClN5O3/c1-15-20(23(30)28-12-10-27(2)11-13-28)21(17-4-3-5-19(14-17)29(31)32)26-22(25-15)16-6-8-18(24)9-7-16/h3-9,14H,10-13H2,1-2H3