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

Systemtic Name: 2-(2-methylpropyl)-4-pyrrolidin-1-ylcarbonyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-isobutyl-4-(pyrrolidine-1-carbonyl)-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-(2-methylpropyl)-4-[oxo(1-pyrrolidinyl)methyl]-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-isobutyl-4-(pyrrolidine-1-carbonyl)-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCC3)C4=CC=CS4

Isomeric SMILES

CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCC3)C4=CC=CS4

InChI

InChI=1S/C22H26N2O2S/c1-15(2)14-24-20(18-10-7-13-27-18)19(22(26)23-11-5-6-12-23)16-8-3-4-9-17(16)21(24)25/h3-4,7-10,13,15,19-20H,5-6,11-12,14H2,1-2H3