4-(azepan-1-ylcarbonyl)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-(2-methoxyethyl)-3-(1-methyl-3-indolyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-3,4-dihydroisocarbostyril Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3C(C4=CC=CC=C4C(=O)N3CCOC)C(=O)N5CCCCCC5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3C(C4=CC=CC=C4C(=O)N3CCOC)C(=O)N5CCCCCC5

InChI

InChI=1S/C28H33N3O3/c1-29-19-23(20-11-7-8-14-24(20)29)26-25(28(33)30-15-9-3-4-10-16-30)21-12-5-6-13-22(21)27(32)31(26)17-18-34-2/h5-8,11-14,19,25-26H,3-4,9-10,15-18H2,1-2H3