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

Systemtic Name: 3-[7-(2-azanylethoxy)-1-oxidanylidene-isoquinolin-2-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[7-(2-aminoethoxy)-1-oxo-2-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[7-(2-aminoethoxy)-1-oxo-2-isoquinolinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[7-(2-aminoethoxy)-1-oxoisoquinolin-2-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[7-(2-aminoethoxy)-1-keto-2-isoquinolyl]-N-cyclopropyl-4-methyl-benzamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN

InChI

InChI=1S/C22H23N3O3/c1-14-2-3-16(21(26)24-17-5-6-17)12-20(14)25-10-8-15-4-7-18(28-11-9-23)13-19(15)22(25)27/h2-4,7-8,10,12-13,17H,5-6,9,11,23H2,1H3,(H,24,26)