3-(1,3-benzodioxol-5-yl)-N-[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolinyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-dimethylaminoethyl)-1-oxoisoquinolin-5-yl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-dimethylaminoethyl)-1-keto-5-isoquinolyl]propionamide Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)CCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25N3O4/c1-25(2)12-13-26-11-10-17-18(23(26)28)4-3-5-19(17)24-22(27)9-7-16-6-8-20-21(14-16)30-15-29-20/h3-6,8,10-11,14H,7,9,12-13,15H2,1-2H3,(H,24,27)