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

Systemtic Name: (3-methylpiperidin-1-yl)-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanone Openeye Name: (3-methyl-1-piperidyl)-[3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]methanone CAS Name: (3-methyl-1-piperidinyl)-[3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]methanone IUPAC Name: (3-methylpiperidin-1-yl)-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanone Traditional Name: (3-methylpiperidino)-[3-nitro-4-[4-(2-pyridyl)piperazino]phenyl]methanone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3/c1-17-5-4-10-26(16-17)22(28)18-7-8-19(20(15-18)27(29)30)24-11-13-25(14-12-24)21-6-2-3-9-23-21/h2-3,6-9,15,17H,4-5,10-14,16H2,1H3