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

Systemtic Name: [4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: [4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-[3-nitro-4-(1-piperidyl)phenyl]methanone CAS Name: [4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-[3-nitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone Traditional Name: [4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-(3-nitro-4-piperidino-phenyl)methanone Formula: C24H32N6O3 MolecularWeight: 452.54928

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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)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H32N6O3/c1-17(2)23-25-18(3)15-22(26-23)28-11-13-29(14-12-28)24(31)19-7-8-20(21(16-19)30(32)33)27-9-5-4-6-10-27/h7-8,15-17H,4-6,9-14H2,1-3H3