4-(azepan-1-ylcarbonyl)-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCCCC3)C4=CC=CS4

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCCCC3)C4=CC=CS4

InChI

InChI=1S/C21H24N2O2S/c1-22-19(17-11-8-14-26-17)18(15-9-4-5-10-16(15)20(22)24)21(25)23-12-6-2-3-7-13-23/h4-5,8-11,14,18-19H,2-3,6-7,12-13H2,1H3