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

Systemtic Name: [4-[6-methyl-2-(4-methylphenyl)-5-propan-2-yl-pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[5-isopropyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[6-methyl-2-(4-methylphenyl)-5-propan-2-yl-4-pyrimidinyl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[6-methyl-2-(4-methylphenyl)-5-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[5-isopropyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]-(3-nitrophenyl)methanone Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3/c1-17(2)23-19(4)27-24(20-10-8-18(3)9-11-20)28-25(23)29-12-14-30(15-13-29)26(32)21-6-5-7-22(16-21)31(33)34/h5-11,16-17H,12-15H2,1-4H3