4-[4-(azepan-1-yl)butanoyl]-2-(4-chlorophenyl)isoquinolin-1-one

Systemtic Name: 4-[4-(azepan-1-yl)butanoyl]-2-(4-chlorophenyl)isoquinolin-1-one Openeye Name: 4-[4-(azepan-1-yl)butanoyl]-2-(4-chlorophenyl)isoquinolin-1-one CAS Name: 4-[4-(1-azepanyl)-1-oxobutyl]-2-(4-chlorophenyl)-1-isoquinolinone IUPAC Name: 4-[4-(azepan-1-yl)butanoyl]-2-(4-chlorophenyl)isoquinolin-1-one Traditional Name: 4-[4-(azepan-1-yl)butanoyl]-2-(4-chlorophenyl)isocarbostyril Formula: C25H27ClN2O2 MolecularWeight: 422.94708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O2/c26-19-11-13-20(14-12-19)28-18-23(21-8-3-4-9-22(21)25(28)30)24(29)10-7-17-27-15-5-1-2-6-16-27/h3-4,8-9,11-14,18H,1-2,5-7,10,15-17H2