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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisocarbostyril Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCCCC3)C4=CNC5=CC=CC=C54

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCCCC3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H27N3O2/c1-27-23(20-16-26-21-13-7-6-10-17(20)21)22(18-11-4-5-12-19(18)24(27)29)25(30)28-14-8-2-3-9-15-28/h4-7,10-13,16,22-23,26H,2-3,8-9,14-15H2,1H3