4-(azepan-1-ylcarbonyl)-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-24-21(19-9-8-12-30-19)20(23(27)25-10-6-4-5-7-11-25)15-13-17(28-2)18(29-3)14-16(15)22(24)26/h8-9,12-14,20-21H,4-7,10-11H2,1-3H3