1-[5-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline hydrochloride

Systemtic Name: 1-[5-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline hydrochloride Openeye Name: 1-[5-(4-methoxyphenyl)-3-(4-pyridyl)-1H-pyrrol-2-yl]isoquinoline hydrochloride CAS Name: 1-[5-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline hydrochloride IUPAC Name: 1-[5-(4-methoxyphenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]isoquinoline hydrochloride Traditional Name: 1-[5-(4-methoxyphenyl)-3-(4-pyridyl)-1H-pyrrol-2-yl]isoquinoline hydrochloride Formula: C25H20ClN3O MolecularWeight: 413.8988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C(N2)C3=NC=CC4=CC=CC=C43)C5=CC=NC=C5.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C(N2)C3=NC=CC4=CC=CC=C43)C5=CC=NC=C5.Cl

InChI

InChI=1S/C25H19N3O.ClH/c1-29-20-8-6-19(7-9-20)23-16-22(18-10-13-26-14-11-18)25(28-23)24-21-5-3-2-4-17(21)12-15-27-24;/h2-16,28H,1H3;1H