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

Systemtic Name: N-cyclopropyl-4-methyl-3-[7-[2-[methyl(prop-2-ynyl)amino]ethoxy]-1-oxidanylidene-isoquinolin-2-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[7-[2-[methyl(prop-2-ynyl)amino]ethoxy]-1-oxo-2-isoquinolyl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[7-[2-[methyl(prop-2-ynyl)amino]ethoxy]-1-oxo-2-isoquinolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[7-[2-[methyl(prop-2-ynyl)amino]ethoxy]-1-oxoisoquinolin-2-yl]benzamide Traditional Name: N-cyclopropyl-3-[1-keto-7-[2-[methyl(propargyl)amino]ethoxy]-2-isoquinolyl]-4-methyl-benzamide Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN(C)CC#C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN(C)CC#C

InChI

InChI=1S/C26H27N3O3/c1-4-12-28(3)14-15-32-22-10-7-19-11-13-29(26(31)23(19)17-22)24-16-20(6-5-18(24)2)25(30)27-21-8-9-21/h1,5-7,10-11,13,16-17,21H,8-9,12,14-15H2,2-3H3,(H,27,30)