6,7-dimethoxy-1-phenyl-N-(phenylmethyl)-1,4-dihydroisoquinolin-3-amine hydrate hydrochloride

Systemtic Name: 6,7-dimethoxy-1-phenyl-N-(phenylmethyl)-1,4-dihydroisoquinolin-3-amine hydrate hydrochloride Openeye Name: N-benzyl-6,7-dimethoxy-1-phenyl-1,4-dihydroisoquinolin-3-amine hydrate hydrochloride CAS Name: 6,7-dimethoxy-1-phenyl-N-(phenylmethyl)-1,4-dihydroisoquinolin-3-amine hydrate hydrochloride IUPAC Name: N-benzyl-6,7-dimethoxy-1-phenyl-1,4-dihydroisoquinolin-3-amine hydrate hydrochloride Traditional Name: benzyl-(6,7-dimethoxy-1-phenyl-1,4-dihydroisoquinolin-3-yl)amine hydrate hydrochloride Formula: C24H27ClN2O3 MolecularWeight: 426.93578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N=C(CC2=C1)NCC3=CC=CC=C3)C4=CC=CC=C4)OC.O.Cl

Isomeric SMILES

COC1=C(C=C2C(N=C(CC2=C1)NCC3=CC=CC=C3)C4=CC=CC=C4)OC.O.Cl

InChI

InChI=1S/C24H24N2O2.ClH.H2O/c1-27-21-13-19-14-23(25-16-17-9-5-3-6-10-17)26-24(18-11-7-4-8-12-18)20(19)15-22(21)28-2;;/h3-13,15,24H,14,16H2,1-2H3,(H,25,26);1H;1H2