4-chloranyl-2-methyl-N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]benzamide

Systemtic Name: 4-chloranyl-2-methyl-N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]benzamide Openeye Name: 4-chloro-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolyl]-2-methyl-benzamide CAS Name: 4-chloro-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolinyl]-2-methylbenzamide IUPAC Name: 4-chloro-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]-2-methylbenzamide Traditional Name: 4-chloro-N-[2-[(1-hydroxycyclohexyl)methyl]-1-keto-5-isoquinolyl]-2-methyl-benzamide Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4(CCCCC4)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4(CCCCC4)O

InChI

InChI=1S/C24H25ClN2O3/c1-16-14-17(25)8-9-18(16)22(28)26-21-7-5-6-20-19(21)10-13-27(23(20)29)15-24(30)11-3-2-4-12-24/h5-10,13-14,30H,2-4,11-12,15H2,1H3,(H,26,28)