2-(2-methylpropyl)-4-piperidin-1-ylcarbonyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-(2-methylpropyl)-4-piperidin-1-ylcarbonyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-isobutyl-4-(piperidine-1-carbonyl)-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-(2-methylpropyl)-4-[oxo(1-piperidinyl)methyl]-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-(2-methylpropyl)-4-(piperidine-1-carbonyl)-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-isobutyl-4-(piperidine-1-carbonyl)-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCCC3)C4=CC=CS4

Isomeric SMILES

CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCCC3)C4=CC=CS4

InChI

InChI=1S/C23H28N2O2S/c1-16(2)15-25-21(19-11-8-14-28-19)20(23(27)24-12-6-3-7-13-24)17-9-4-5-10-18(17)22(25)26/h4-5,8-11,14,16,20-21H,3,6-7,12-13,15H2,1-2H3