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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-methyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-methyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-methyl-3-(1-methyl-3-indolyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-2-methyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-methyl-3-(1-methylindol-3-yl)-3,4-dihydroisocarbostyril Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3C(C4=CC=CC=C4C(=O)N3C)C(=O)N5CCCCCC5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3C(C4=CC=CC=C4C(=O)N3C)C(=O)N5CCCCCC5

InChI

InChI=1S/C26H29N3O2/c1-27-17-21(18-11-7-8-14-22(18)27)24-23(26(31)29-15-9-3-4-10-16-29)19-12-5-6-13-20(19)25(30)28(24)2/h5-8,11-14,17,23-24H,3-4,9-10,15-16H2,1-2H3