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

Systemtic Name: N-ethyl-4-methyl-3-[7-[2-[methyl(prop-2-enyl)amino]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]benzamide Openeye Name: 3-[7-[2-[allyl(methyl)amino]ethoxy]-1-oxo-2-isoquinolyl]-N-ethyl-4-methyl-benzamide CAS Name: N-ethyl-4-methyl-3-[7-[2-[methyl(prop-2-enyl)amino]ethoxy]-1-oxo-2-isoquinolinyl]benzamide IUPAC Name: N-ethyl-4-methyl-3-[7-[2-[methyl(prop-2-enyl)amino]ethoxy]-1-oxoisoquinolin-2-yl]benzamide Traditional Name: 3-[7-[2-[allyl(methyl)amino]ethoxy]-1-keto-2-isoquinolyl]-N-ethyl-4-methyl-benzamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-5-12-27(4)14-15-31-21-10-9-19-11-13-28(25(30)22(19)17-21)23-16-20(8-7-18(23)3)24(29)26-6-2/h5,7-11,13,16-17H,1,6,12,14-15H2,2-4H3,(H,26,29)