4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-N-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C25H28N6O3/c1-17(2)22-18(3)26-23(19-7-5-4-6-8-19)28-24(22)29-13-15-30(16-14-29)25(32)27-20-9-11-21(12-10-20)31(33)34/h4-12,17H,13-16H2,1-3H3,(H,27,32)