4-(azepan-1-ylcarbonyl)-2-(4-chlorophenyl)isoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-(4-chlorophenyl)isoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-(4-chlorophenyl)isoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-(4-chlorophenyl)-1-isoquinolinone IUPAC Name: 4-(azepane-1-carbonyl)-2-(4-chlorophenyl)isoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-(4-chlorophenyl)isocarbostyril Formula: C22H21ClN2O2 MolecularWeight: 380.86734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN2O2/c23-16-9-11-17(12-10-16)25-15-20(18-7-3-4-8-19(18)22(25)27)21(26)24-13-5-1-2-6-14-24/h3-4,7-12,15H,1-2,5-6,13-14H2