N-(phenylmethyl)-3-(4-pyridin-2-yl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride

Systemtic Name: N-(phenylmethyl)-3-(4-pyridin-2-yl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride Openeye Name: N-benzyl-3-[4-(2-pyridyl)isochroman-4-yl]propan-1-amine hydrochloride CAS Name: N-(phenylmethyl)-3-[4-(2-pyridinyl)-3,4-dihydro-1H-2-benzopyran-4-yl]-1-propanamine hydrochloride IUPAC Name: N-benzyl-3-(4-pyridin-2-yl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride Traditional Name: benzyl-[3-[4-(2-pyridyl)isochroman-4-yl]propyl]amine hydrochloride Formula: C24H27ClN2O MolecularWeight: 394.93698

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(CO1)(CCCNCC3=CC=CC=C3)C4=CC=CC=N4.Cl

Isomeric SMILES

C1C2=CC=CC=C2C(CO1)(CCCNCC3=CC=CC=C3)C4=CC=CC=N4.Cl

InChI

InChI=1S/C24H26N2O.ClH/c1-2-9-20(10-3-1)17-25-15-8-14-24(23-13-6-7-16-26-23)19-27-18-21-11-4-5-12-22(21)24;/h1-7,9-13,16,25H,8,14-15,17-19H2;1H