2-[2-azanylethyl(methyl)amino]-1-but-2-ynyl-6-[(3-methylisoquinolin-1-yl)methyl]-6H-indol-7-one

Systemtic Name: 2-[2-azanylethyl(methyl)amino]-1-but-2-ynyl-6-[(3-methylisoquinolin-1-yl)methyl]-6H-indol-7-one Openeye Name: 2-[2-aminoethyl(methyl)amino]-1-but-2-ynyl-6-[(3-methyl-1-isoquinolyl)methyl]-6H-indol-7-one CAS Name: 2-[2-aminoethyl(methyl)amino]-1-but-2-ynyl-6-[(3-methyl-1-isoquinolinyl)methyl]-6H-indol-7-one IUPAC Name: 2-[2-aminoethyl(methyl)amino]-1-but-2-ynyl-6-[(3-methylisoquinolin-1-yl)methyl]-6H-indol-7-one Traditional Name: 2-[2-aminoethyl(methyl)amino]-1-but-2-ynyl-6-[(3-methyl-1-isoquinolyl)methyl]-6H-indol-7-one Formula: C26H28N4O MolecularWeight: 412.52672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=CC2=C1C(=O)C(C=C2)CC3=NC(=CC4=CC=CC=C43)C)N(C)CCN

Isomeric SMILES

CC#CCN1C(=CC2=C1C(=O)C(C=C2)CC3=NC(=CC4=CC=CC=C43)C)N(C)CCN

InChI

InChI=1S/C26H28N4O/c1-4-5-13-30-24(29(3)14-12-27)17-20-10-11-21(26(31)25(20)30)16-23-22-9-7-6-8-19(22)15-18(2)28-23/h6-11,15,17,21H,12-14,16,27H2,1-3H3