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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(azepane-1-carbonyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisocarbostyril Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCCCC3)C4=CNC5=CC=CC=C54

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCCCC3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H31N3O3/c1-33-17-16-30-25(22-18-28-23-13-7-6-10-19(22)23)24(20-11-4-5-12-21(20)26(30)31)27(32)29-14-8-2-3-9-15-29/h4-7,10-13,18,24-25,28H,2-3,8-9,14-17H2,1H3