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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

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