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

Systemtic Name: [4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C23H30N6O3 MolecularWeight: 438.5227

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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)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N6O3/c1-16(2)22-24-17(3)14-21(25-22)27-10-12-28(13-11-27)23(30)18-6-7-19(20(15-18)29(31)32)26-8-4-5-9-26/h6-7,14-16H,4-5,8-13H2,1-3H3