2-cyclopentyl-3-(4-fluorophenyl)carbonyl-7,7-dimethyl-4-thiophen-3-yl-1,4,6,8-tetrahydroquinolin-5-one

Systemtic Name: 2-cyclopentyl-3-(4-fluorophenyl)carbonyl-7,7-dimethyl-4-thiophen-3-yl-1,4,6,8-tetrahydroquinolin-5-one Openeye Name: 2-cyclopentyl-3-(4-fluorobenzoyl)-7,7-dimethyl-4-(3-thienyl)-1,4,6,8-tetrahydroquinolin-5-one CAS Name: 2-cyclopentyl-3-[(4-fluorophenyl)-oxomethyl]-7,7-dimethyl-4-(3-thiophenyl)-1,4,6,8-tetrahydroquinolin-5-one IUPAC Name: 2-cyclopentyl-3-(4-fluorobenzoyl)-7,7-dimethyl-4-thiophen-3-yl-1,4,6,8-tetrahydroquinolin-5-one Traditional Name: 2-cyclopentyl-3-(4-fluorobenzoyl)-7,7-dimethyl-4-(3-thienyl)-1,4,6,8-tetrahydroquinolin-5-one Formula: C27H28FNO2S MolecularWeight: 449.580123

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)C3CCCC3)C(=O)C4=CC=C(C=C4)F)C5=CSC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)C3CCCC3)C(=O)C4=CC=C(C=C4)F)C5=CSC=C5)C(=O)C1)C

InChI

InChI=1S/C27H28FNO2S/c1-27(2)13-20-23(21(30)14-27)22(18-11-12-32-15-18)24(25(29-20)16-5-3-4-6-16)26(31)17-7-9-19(28)10-8-17/h7-12,15-16,22,29H,3-6,13-14H2,1-2H3