[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[5,6-dimethyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-(3-nitrophenyl)methanone Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C24H25N5O3/c1-16-6-4-7-19(14-16)22-25-18(3)17(2)23(26-22)27-10-12-28(13-11-27)24(30)20-8-5-9-21(15-20)29(31)32/h4-9,14-15H,10-13H2,1-3H3