2-[3-(dibutylamino)-2-oxidanyl-propyl]-4-phenyl-isoquinolin-1-one hydrochloride

Systemtic Name: 2-[3-(dibutylamino)-2-oxidanyl-propyl]-4-phenyl-isoquinolin-1-one hydrochloride Openeye Name: 2-[3-(dibutylamino)-2-hydroxy-propyl]-4-phenyl-isoquinolin-1-one hydrochloride CAS Name: 2-[3-(dibutylamino)-2-hydroxypropyl]-4-phenyl-1-isoquinolinone hydrochloride IUPAC Name: 2-[3-(dibutylamino)-2-hydroxypropyl]-4-phenylisoquinolin-1-one hydrochloride Traditional Name: 2-[3-(dibutylamino)-2-hydroxy-propyl]-4-phenyl-isocarbostyril hydrochloride Formula: C26H35ClN2O2 MolecularWeight: 443.0213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O2.ClH/c1-3-5-16-27(17-6-4-2)18-22(29)19-28-20-25(21-12-8-7-9-13-21)23-14-10-11-15-24(23)26(28)30;/h7-15,20,22,29H,3-6,16-19H2,1-2H3;1H