(2-chloranyl-5-nitro-phenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-nitro-phenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (2-chloro-5-nitro-phenyl)-[4-[6-(4-methyl-1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (2-chloro-5-nitrophenyl)-[4-[6-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-nitrophenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (2-chloro-5-nitro-phenyl)-[4-[6-(4-methylpiperidino)pyrimidin-4-yl]piperazino]methanone Formula: C21H25ClN6O3 MolecularWeight: 444.9146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN6O3/c1-15-4-6-25(7-5-15)19-13-20(24-14-23-19)26-8-10-27(11-9-26)21(29)17-12-16(28(30)31)2-3-18(17)22/h2-3,12-15H,4-11H2,1H3