[4-(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]-(2-nitrophenyl)methanone

Systemtic Name: [4-(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]-(2-nitrophenyl)methanone Openeye Name: [4-(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]-(2-nitrophenyl)methanone CAS Name: [4-[2-methyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-(2-nitrophenyl)methanone IUPAC Name: [4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-nitrophenyl)methanone Traditional Name: [4-(2-methyl-6-pyrrolidino-pyrimidin-4-yl)piperazino]-(2-nitrophenyl)methanone Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O3/c1-15-21-18(23-8-4-5-9-23)14-19(22-15)24-10-12-25(13-11-24)20(27)16-6-2-3-7-17(16)26(28)29/h2-3,6-7,14H,4-5,8-13H2,1H3