1-(5,6-dihydro-4H-pyrimidin-1-yl)-3-(4-methoxyphenyl)isoquinoline hydrochloride

Systemtic Name: 1-(5,6-dihydro-4H-pyrimidin-1-yl)-3-(4-methoxyphenyl)isoquinoline hydrochloride Openeye Name: 1-(5,6-dihydro-4H-pyrimidin-1-yl)-3-(4-methoxyphenyl)isoquinoline hydrochloride CAS Name: 1-(5,6-dihydro-4H-pyrimidin-1-yl)-3-(4-methoxyphenyl)isoquinoline hydrochloride IUPAC Name: 1-(5,6-dihydro-4H-pyrimidin-1-yl)-3-(4-methoxyphenyl)isoquinoline hydrochloride Traditional Name: 1-(5,6-dihydro-4H-pyrimidin-1-yl)-3-(4-methoxyphenyl)isoquinoline hydrochloride Formula: C20H20ClN3O MolecularWeight: 353.8453

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCCN=C4.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCCN=C4.Cl

InChI

InChI=1S/C20H19N3O.ClH/c1-24-17-9-7-15(8-10-17)19-13-16-5-2-3-6-18(16)20(22-19)23-12-4-11-21-14-23;/h2-3,5-10,13-14H,4,11-12H2,1H3;1H