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

Systemtic Name: 2-[3-[bis(prop-2-enyl)amino]-2-methyl-propyl]-4-phenyl-isoquinolin-1-one hydrochloride Openeye Name: 2-[3-(diallylamino)-2-methyl-propyl]-4-phenyl-isoquinolin-1-one hydrochloride CAS Name: 2-[3-[bis(prop-2-enyl)amino]-2-methylpropyl]-4-phenyl-1-isoquinolinone hydrochloride IUPAC Name: 2-[3-[bis(prop-2-enyl)amino]-2-methylpropyl]-4-phenylisoquinolin-1-one hydrochloride Traditional Name: 2-[3-(diallylamino)-2-methyl-propyl]-4-phenyl-isocarbostyril hydrochloride Formula: C25H29ClN2O MolecularWeight: 408.96356

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CN(CC=C)CC=C.Cl

Isomeric SMILES

CC(CN1C=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CN(CC=C)CC=C.Cl

InChI

InChI=1S/C25H28N2O.ClH/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;/h4-14,19-20H,1-2,15-18H2,3H3;1H