[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(4-methyl-1-piperidyl)-3-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(4-methylpiperidino)-3-nitro-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O3/c1-16-5-9-24(10-6-16)18-4-3-17(15-19(18)27(29)30)20(28)25-11-13-26(14-12-25)21-22-7-2-8-23-21/h2-4,7-8,15-16H,5-6,9-14H2,1H3