1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-2-cyclopentyl-5-methoxy-1H-isoquinoline dihydrochloride

Systemtic Name: 1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-2-cyclopentyl-5-methoxy-1H-isoquinoline dihydrochloride Openeye Name: 2-cyclopentyl-1-[(3,5-dichloro-4-pyridyl)methyl]-5-methoxy-1H-isoquinoline dihydrochloride CAS Name: 2-cyclopentyl-1-[(3,5-dichloro-4-pyridinyl)methyl]-5-methoxy-1H-isoquinoline dihydrochloride IUPAC Name: 2-cyclopentyl-1-[(3,5-dichloropyridin-4-yl)methyl]-5-methoxy-1H-isoquinoline dihydrochloride Traditional Name: 2-cyclopentyl-1-[(3,5-dichloro-4-pyridyl)methyl]-5-methoxy-1H-isoquinoline dihydrochloride Formula: C21H24Cl4N2O MolecularWeight: 462.24006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=CN(C2CC3=C(C=NC=C3Cl)Cl)C4CCCC4.Cl.Cl

Isomeric SMILES

COC1=CC=CC2=C1C=CN(C2CC3=C(C=NC=C3Cl)Cl)C4CCCC4.Cl.Cl

InChI

InChI=1S/C21H22Cl2N2O.2ClH/c1-26-21-8-4-7-15-16(21)9-10-25(14-5-2-3-6-14)20(15)11-17-18(22)12-24-13-19(17)23;;/h4,7-10,12-14,20H,2-3,5-6,11H2,1H3;2*1H