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

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]methanone Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O3/c1-15-4-5-16(12-17(15)26(28)29)20(27)25-10-8-24(9-11-25)19-13-18(21-14-22-19)23-6-2-3-7-23/h4-5,12-14H,2-3,6-11H2,1H3