3-[7-[2-[tert-butyl(methyl)amino]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]-N-ethyl-4-methyl-benzamide

Systemtic Name: 3-[7-[2-[tert-butyl(methyl)amino]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]-N-ethyl-4-methyl-benzamide Openeye Name: 3-[7-[2-[tert-butyl(methyl)amino]ethoxy]-1-oxo-2-isoquinolyl]-N-ethyl-4-methyl-benzamide CAS Name: 3-[7-[2-[tert-butyl(methyl)amino]ethoxy]-1-oxo-2-isoquinolinyl]-N-ethyl-4-methylbenzamide IUPAC Name: 3-[7-[2-[tert-butyl(methyl)amino]ethoxy]-1-oxoisoquinolin-2-yl]-N-ethyl-4-methylbenzamide Traditional Name: 3-[7-[2-[tert-butyl(methyl)amino]ethoxy]-1-keto-2-isoquinolyl]-N-ethyl-4-methyl-benzamide Formula: C26H33N3O3 MolecularWeight: 435.55852

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O3/c1-7-27-24(30)20-9-8-18(2)23(16-20)29-13-12-19-10-11-21(17-22(19)25(29)31)32-15-14-28(6)26(3,4)5/h8-13,16-17H,7,14-15H2,1-6H3,(H,27,30)