(3,5-dimethylpiperidin-1-yl)-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanone

Systemtic Name: (3,5-dimethylpiperidin-1-yl)-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanone Openeye Name: (3,5-dimethyl-1-piperidyl)-[3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]methanone CAS Name: (3,5-dimethyl-1-piperidinyl)-[3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]methanone IUPAC Name: (3,5-dimethylpiperidin-1-yl)-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanone Traditional Name: (3,5-dimethylpiperidino)-[3-nitro-4-[4-(2-pyridyl)piperazino]phenyl]methanone Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-])C

InChI

InChI=1S/C23H29N5O3/c1-17-13-18(2)16-27(15-17)23(29)19-6-7-20(21(14-19)28(30)31)25-9-11-26(12-10-25)22-5-3-4-8-24-22/h3-8,14,17-18H,9-13,15-16H2,1-2H3