ethyl 2-[5-(4-quinolin-2-ylpiperazin-1-yl)hexanoylamino]cyclohexene-1-carboxylate

Systemtic Name: ethyl 2-[5-(4-quinolin-2-ylpiperazin-1-yl)hexanoylamino]cyclohexene-1-carboxylate Openeye Name: ethyl 2-[5-[4-(2-quinolyl)piperazin-1-yl]hexanoylamino]cyclohexene-1-carboxylate CAS Name: 2-[[1-oxo-5-[4-(2-quinolinyl)-1-piperazinyl]hexyl]amino]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-quinolin-2-ylpiperazin-1-yl)hexanoylamino]cyclohexene-1-carboxylate Traditional Name: 2-[5-[4-(2-quinolyl)piperazino]hexanoylamino]cyclohexene-1-carboxylic acid ethyl ester Formula: C28H38N4O3 MolecularWeight: 478.62632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CCCC1)NC(=O)CCCC(C)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(CCCC1)NC(=O)CCCC(C)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H38N4O3/c1-3-35-28(34)23-11-5-7-13-25(23)30-27(33)14-8-9-21(2)31-17-19-32(20-18-31)26-16-15-22-10-4-6-12-24(22)29-26/h4,6,10,12,15-16,21H,3,5,7-9,11,13-14,17-20H2,1-2H3,(H,30,33)