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

Systemtic Name: [4-(2-methyl-6-piperidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[2-methyl-6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[2-methyl-6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(2-methyl-6-piperidino-pyrimidin-4-yl)piperazino]-(3-nitrophenyl)methanone Formula: C21H26N6O3 MolecularWeight: 410.46954

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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-])N4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O3/c1-16-22-19(24-8-3-2-4-9-24)15-20(23-16)25-10-12-26(13-11-25)21(28)17-6-5-7-18(14-17)27(29)30/h5-7,14-15H,2-4,8-13H2,1H3