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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O3/c1-16-4-2-9-26(15-16)18-6-5-17(14-19(18)27(29)30)20(28)24-10-12-25(13-11-24)21-22-7-3-8-23-21/h3,5-8,14,16H,2,4,9-13,15H2,1H3