[6-fluoranyl-3-[(2-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinolin-4-yl] N-(1-cyclohexylethyl)carbamate

Systemtic Name: [6-fluoranyl-3-[(2-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinolin-4-yl] N-(1-cyclohexylethyl)carbamate Openeye Name: [6-fluoro-3-[(2-oxopiperazin-1-yl)methyl]-2-phenyl-4-quinolyl] N-(1-cyclohexylethyl)carbamate CAS Name: N-(1-cyclohexylethyl)carbamic acid [6-fluoro-3-[(2-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinyl] ester IUPAC Name: [6-fluoro-3-[(2-oxopiperazin-1-yl)methyl]-2-phenylquinolin-4-yl] N-(1-cyclohexylethyl)carbamate Traditional Name: N-(1-cyclohexylethyl)carbamic acid [6-fluoro-3-[(2-ketopiperazino)methyl]-2-phenyl-4-quinolyl] ester Formula: C29H33FN4O3 MolecularWeight: 504.595723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)OC2=C(C(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4)CN5CCNCC5=O

Isomeric SMILES

CC(C1CCCCC1)NC(=O)OC2=C(C(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4)CN5CCNCC5=O

InChI

InChI=1S/C29H33FN4O3/c1-19(20-8-4-2-5-9-20)32-29(36)37-28-23-16-22(30)12-13-25(23)33-27(21-10-6-3-7-11-21)24(28)18-34-15-14-31-17-26(34)35/h3,6-7,10-13,16,19-20,31H,2,4-5,8-9,14-15,17-18H2,1H3,(H,32,36)