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

Systemtic Name: 3-[7-(2-diethylaminoethyloxy)-1-oxidanylidene-isoquinolin-2-yl]-N-ethyl-4-methyl-benzamide Openeye Name: 3-[7-(2-diethylaminoethyloxy)-1-oxo-2-isoquinolyl]-N-ethyl-4-methyl-benzamide CAS Name: 3-[7-(2-diethylaminoethyloxy)-1-oxo-2-isoquinolinyl]-N-ethyl-4-methylbenzamide IUPAC Name: 3-[7-(2-diethylaminoethyloxy)-1-oxoisoquinolin-2-yl]-N-ethyl-4-methylbenzamide Traditional Name: 3-[7-(2-diethylaminoethyloxy)-1-keto-2-isoquinolyl]-N-ethyl-4-methyl-benzamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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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(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-5-26-24(29)20-9-8-18(4)23(16-20)28-13-12-19-10-11-21(17-22(19)25(28)30)31-15-14-27(6-2)7-3/h8-13,16-17H,5-7,14-15H2,1-4H3,(H,26,29)