3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]isocarbostyril Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H23N3O2/c1-23-12-7-11-18(23)19-10-3-2-6-13-24(19)21(26)17-14-15-8-4-5-9-16(15)20(25)22-17/h4-5,7-9,11-12,14,19H,2-3,6,10,13H2,1H3,(H,22,25)