N-cyclopropyl-3-[4-(hydroxymethyl)-7-methoxy-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[4-(hydroxymethyl)-7-methoxy-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[4-(hydroxymethyl)-7-methoxy-1-oxo-2-isoquinolyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[4-(hydroxymethyl)-7-methoxy-1-oxo-2-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[4-(hydroxymethyl)-7-methoxy-1-oxoisoquinolin-2-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-(1-keto-7-methoxy-4-methylol-2-isoquinolyl)-4-methyl-benzamide Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=C(C4=C(C3=O)C=C(C=C4)OC)CO

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=C(C4=C(C3=O)C=C(C=C4)OC)CO

InChI

InChI=1S/C22H22N2O4/c1-13-3-4-14(21(26)23-16-5-6-16)9-20(13)24-11-15(12-25)18-8-7-17(28-2)10-19(18)22(24)27/h3-4,7-11,16,25H,5-6,12H2,1-2H3,(H,23,26)