[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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