5-methyl-3-(4-methyl-1,4-diazepan-1-yl)-2H-isoquinolin-1-one

Systemtic Name: 5-methyl-3-(4-methyl-1,4-diazepan-1-yl)-2H-isoquinolin-1-one Openeye Name: 5-methyl-3-(4-methyl-1,4-diazepan-1-yl)-2H-isoquinolin-1-one CAS Name: 5-methyl-3-(4-methyl-1,4-diazepan-1-yl)-2H-isoquinolin-1-one IUPAC Name: 5-methyl-3-(4-methyl-1,4-diazepan-1-yl)-2H-isoquinolin-1-one Traditional Name: 5-methyl-3-(4-methyl-1,4-diazepan-1-yl)isocarbostyril Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)N3CCCN(CC3)C

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)N3CCCN(CC3)C

InChI

InChI=1S/C16H21N3O/c1-12-5-3-6-13-14(12)11-15(17-16(13)20)19-8-4-7-18(2)9-10-19/h3,5-6,11H,4,7-10H2,1-2H3,(H,17,20)