3-(4-methoxyphenyl)-4-(2-pyridin-2-ylethyl)isoquinolin-1-amine hydrochloride

Systemtic Name: 3-(4-methoxyphenyl)-4-(2-pyridin-2-ylethyl)isoquinolin-1-amine hydrochloride Openeye Name: 3-(4-methoxyphenyl)-4-[2-(2-pyridyl)ethyl]isoquinolin-1-amine hydrochloride CAS Name: 3-(4-methoxyphenyl)-4-[2-(2-pyridinyl)ethyl]-1-isoquinolinamine hydrochloride IUPAC Name: 3-(4-methoxyphenyl)-4-(2-pyridin-2-ylethyl)isoquinolin-1-amine hydrochloride Traditional Name: [3-(4-methoxyphenyl)-4-[2-(2-pyridyl)ethyl]-1-isoquinolyl]amine hydrochloride Formula: C23H22ClN3O MolecularWeight: 391.89328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=N2)N)CCC4=CC=CC=N4.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=N2)N)CCC4=CC=CC=N4.Cl

InChI

InChI=1S/C23H21N3O.ClH/c1-27-18-12-9-16(10-13-18)22-20(14-11-17-6-4-5-15-25-17)19-7-2-3-8-21(19)23(24)26-22;/h2-10,12-13,15H,11,14H2,1H3,(H2,24,26);1H