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

Systemtic Name: 3-chloranyl-4-methoxy-N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]benzamide Openeye Name: 3-chloro-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolyl]-4-methoxy-benzamide CAS Name: 3-chloro-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolinyl]-4-methoxybenzamide IUPAC Name: 3-chloro-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]-4-methoxybenzamide Traditional Name: 3-chloro-N-[2-[(1-hydroxycyclohexyl)methyl]-1-keto-5-isoquinolyl]-4-methoxy-benzamide Formula: C24H25ClN2O4 MolecularWeight: 440.9193

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4(CCCCC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4(CCCCC4)O)Cl

InChI

InChI=1S/C24H25ClN2O4/c1-31-21-9-8-16(14-19(21)25)22(28)26-20-7-5-6-18-17(20)10-13-27(23(18)29)15-24(30)11-3-2-4-12-24/h5-10,13-14,30H,2-4,11-12,15H2,1H3,(H,26,28)