N-butyl-3-(7-chloranyl-2-methyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)propanamide

Systemtic Name: N-butyl-3-(7-chloranyl-2-methyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)propanamide Openeye Name: N-butyl-3-(7-chloro-2-methyl-1-oxo-3-phenyl-4-isoquinolyl)propanamide CAS Name: N-butyl-3-(7-chloro-2-methyl-1-oxo-3-phenyl-4-isoquinolinyl)propanamide IUPAC Name: N-butyl-3-(7-chloro-2-methyl-1-oxo-3-phenylisoquinolin-4-yl)propanamide Traditional Name: N-butyl-3-(7-chloro-1-keto-2-methyl-3-phenyl-4-isoquinolyl)propionamide Formula: C23H25ClN2O2 MolecularWeight: 396.9098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC1=C(N(C(=O)C2=C1C=CC(=C2)Cl)C)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CCC1=C(N(C(=O)C2=C1C=CC(=C2)Cl)C)C3=CC=CC=C3

InChI

InChI=1S/C23H25ClN2O2/c1-3-4-14-25-21(27)13-12-19-18-11-10-17(24)15-20(18)23(28)26(2)22(19)16-8-6-5-7-9-16/h5-11,15H,3-4,12-14H2,1-2H3,(H,25,27)