1-[3-nitro-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[4-(8-quinolylmethyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-(8-quinolinylmethyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[4-(8-quinolylmethyl)piperazino]phenyl]ethanone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3/c1-16(27)18-7-8-20(21(14-18)26(28)29)25-12-10-24(11-13-25)15-19-5-2-4-17-6-3-9-23-22(17)19/h2-9,14H,10-13,15H2,1H3