[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinolin-4-yl] N-(1-cyclohexylethyl)carbamate

Systemtic Name: [3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinolin-4-yl] N-(1-cyclohexylethyl)carbamate Openeye Name: [3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(2-thienyl)-4-quinolyl] N-(1-cyclohexylethyl)carbamate CAS Name: N-(1-cyclohexylethyl)carbamic acid [3-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinyl] ester IUPAC Name: [3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-thiophen-2-ylquinolin-4-yl] N-(1-cyclohexylethyl)carbamate Traditional Name: N-(1-cyclohexylethyl)carbamic acid [3-[[4-(2-hydroxyethyl)piperazino]methyl]-2-(2-thienyl)-4-quinolyl] ester Formula: C29H38N4O3S MolecularWeight: 522.70202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)OC2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(CC5)CCO

Isomeric SMILES

CC(C1CCCCC1)NC(=O)OC2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(CC5)CCO

InChI

InChI=1S/C29H38N4O3S/c1-21(22-8-3-2-4-9-22)30-29(35)36-28-23-10-5-6-11-25(23)31-27(26-12-7-19-37-26)24(28)20-33-15-13-32(14-16-33)17-18-34/h5-7,10-12,19,21-22,34H,2-4,8-9,13-18,20H2,1H3,(H,30,35)