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

Systemtic Name: 3-[7-[2-(azetidin-1-yl)ethoxy]-1-oxidanylidene-isoquinolin-2-yl]-N-ethyl-4-methyl-benzamide Openeye Name: 3-[7-[2-(azetidin-1-yl)ethoxy]-1-oxo-2-isoquinolyl]-N-ethyl-4-methyl-benzamide CAS Name: 3-[7-[2-(1-azetidinyl)ethoxy]-1-oxo-2-isoquinolinyl]-N-ethyl-4-methylbenzamide IUPAC Name: 3-[7-[2-(azetidin-1-yl)ethoxy]-1-oxoisoquinolin-2-yl]-N-ethyl-4-methylbenzamide Traditional Name: 3-[7-[2-(azetidin-1-yl)ethoxy]-1-keto-2-isoquinolyl]-N-ethyl-4-methyl-benzamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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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)OCCN4CCC4

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)C)N2C=CC3=C(C2=O)C=C(C=C3)OCCN4CCC4

InChI

InChI=1S/C24H27N3O3/c1-3-25-23(28)19-6-5-17(2)22(15-19)27-12-9-18-7-8-20(16-21(18)24(27)29)30-14-13-26-10-4-11-26/h5-9,12,15-16H,3-4,10-11,13-14H2,1-2H3,(H,25,28)