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

Systemtic Name: [4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-(3-methyl-1-piperidyl)-3-nitro-phenyl]-[4-(8-quinolylmethyl)piperazin-1-yl]methanone CAS Name: [4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-[4-(8-quinolinylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-(3-methylpiperidin-1-yl)-3-nitrophenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(3-methylpiperidino)-3-nitro-phenyl]-[4-(8-quinolylmethyl)piperazino]methanone Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O3/c1-20-5-4-12-31(18-20)24-10-9-22(17-25(24)32(34)35)27(33)30-15-13-29(14-16-30)19-23-7-2-6-21-8-3-11-28-26(21)23/h2-3,6-11,17,20H,4-5,12-16,18-19H2,1H3