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

Systemtic Name: [4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazino]-(3-nitrophenyl)methanone Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C25H27N5O3/c1-17(2)22-18(3)26-23(19-8-5-4-6-9-19)27-24(22)28-12-14-29(15-13-28)25(31)20-10-7-11-21(16-20)30(32)33/h4-11,16-17H,12-15H2,1-3H3