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

Systemtic Name: N-cyclopropyl-3-(7-methoxy-4-methyl-1-oxidanylidene-isoquinolin-2-yl)-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-(7-methoxy-4-methyl-1-oxo-2-isoquinolyl)-4-methyl-benzamide CAS Name: N-cyclopropyl-3-(7-methoxy-4-methyl-1-oxo-2-isoquinolinyl)-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-(7-methoxy-4-methyl-1-oxoisoquinolin-2-yl)-4-methylbenzamide Traditional Name: N-cyclopropyl-3-(1-keto-7-methoxy-4-methyl-2-isoquinolyl)-4-methyl-benzamide Formula: C22H22N2O3 MolecularWeight: 362.42168

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-13-4-5-15(21(25)23-16-6-7-16)10-20(13)24-12-14(2)18-9-8-17(27-3)11-19(18)22(24)26/h4-5,8-12,16H,6-7H2,1-3H3,(H,23,25)