[3-[(4-ethyl-3-oxidanylidene-piperazin-1-yl)methyl]-2-phenyl-quinolin-4-yl] N-(1-cyclohexylethyl)carbamate

Systemtic Name: [3-[(4-ethyl-3-oxidanylidene-piperazin-1-yl)methyl]-2-phenyl-quinolin-4-yl] N-(1-cyclohexylethyl)carbamate Openeye Name: [3-[(4-ethyl-3-oxo-piperazin-1-yl)methyl]-2-phenyl-4-quinolyl] N-(1-cyclohexylethyl)carbamate CAS Name: N-(1-cyclohexylethyl)carbamic acid [3-[(4-ethyl-3-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinyl] ester IUPAC Name: [3-[(4-ethyl-3-oxopiperazin-1-yl)methyl]-2-phenylquinolin-4-yl] N-(1-cyclohexylethyl)carbamate Traditional Name: N-(1-cyclohexylethyl)carbamic acid [3-[(4-ethyl-3-keto-piperazino)methyl]-2-phenyl-4-quinolyl] ester Formula: C31H38N4O3 MolecularWeight: 514.65842

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1=O)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)OC(=O)NC(C)C5CCCCC5

Isomeric SMILES

CCN1CCN(CC1=O)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)OC(=O)NC(C)C5CCCCC5

InChI

InChI=1S/C31H38N4O3/c1-3-35-19-18-34(21-28(35)36)20-26-29(24-14-8-5-9-15-24)33-27-17-11-10-16-25(27)30(26)38-31(37)32-22(2)23-12-6-4-7-13-23/h5,8-11,14-17,22-23H,3-4,6-7,12-13,18-21H2,1-2H3,(H,32,37)