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

Systemtic Name: [4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-(3-nitro-4-phenylazanyl-phenyl)methanone Openeye Name: (4-anilino-3-nitro-phenyl)-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (4-anilino-3-nitrophenyl)-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-anilino-3-nitrophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (4-anilino-3-nitro-phenyl)-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]methanone Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

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