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

Systemtic Name: 3-[7-(2-dimethylaminoethyloxy)-1-oxidanylidene-isoquinolin-2-yl]-N-ethyl-4-methyl-benzamide Openeye Name: 3-[7-(2-dimethylaminoethyloxy)-1-oxo-2-isoquinolyl]-N-ethyl-4-methyl-benzamide CAS Name: 3-[7-(2-dimethylaminoethyloxy)-1-oxo-2-isoquinolinyl]-N-ethyl-4-methylbenzamide IUPAC Name: 3-[7-(2-dimethylaminoethyloxy)-1-oxoisoquinolin-2-yl]-N-ethyl-4-methylbenzamide Traditional Name: 3-[7-(2-dimethylaminoethyloxy)-1-keto-2-isoquinolyl]-N-ethyl-4-methyl-benzamide Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)C)N2C=CC3=C(C2=O)C=C(C=C3)OCCN(C)C

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)C)N2C=CC3=C(C2=O)C=C(C=C3)OCCN(C)C

InChI

InChI=1S/C23H27N3O3/c1-5-24-22(27)18-7-6-16(2)21(14-18)26-11-10-17-8-9-19(15-20(17)23(26)28)29-13-12-25(3)4/h6-11,14-15H,5,12-13H2,1-4H3,(H,24,27)