2-[3-[bis(prop-2-ynyl)amino]-2-methyl-propyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 2-[3-[bis(prop-2-ynyl)amino]-2-methyl-propyl]-4-phenyl-isoquinolin-1-one Openeye Name: 2-[3-[bis(prop-2-ynyl)amino]-2-methyl-propyl]-4-phenyl-isoquinolin-1-one CAS Name: 2-[3-[bis(prop-2-ynyl)amino]-2-methylpropyl]-4-phenyl-1-isoquinolinone IUPAC Name: 2-[3-[bis(prop-2-ynyl)amino]-2-methylpropyl]-4-phenylisoquinolin-1-one Traditional Name: 2-[3-(dipropargylamino)-2-methyl-propyl]-4-phenyl-isocarbostyril Formula: C25H24N2O MolecularWeight: 368.47086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CN(CC#C)CC#C

Isomeric SMILES

CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CN(CC#C)CC#C

InChI

InChI=1S/C25H24N2O/c1-4-15-26(16-5-2)17-20(3)18-27-19-24(21-11-7-6-8-12-21)22-13-9-10-14-23(22)25(27)28/h1-2,6-14,19-20H,15-18H2,3H3