N-[(2-chlorophenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride

Systemtic Name: N-[(2-chlorophenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride Openeye Name: N-[(2-chlorophenyl)methyl]-3-(4-phenylisochroman-4-yl)propan-1-amine hydrochloride CAS Name: N-[(2-chlorophenyl)methyl]-3-(4-phenyl-3,4-dihydro-1H-2-benzopyran-4-yl)-1-propanamine hydrochloride IUPAC Name: N-[(2-chlorophenyl)methyl]-3-(4-phenyl-1,3-dihydroisochromen-4-yl)propan-1-amine hydrochloride Traditional Name: (2-chlorobenzyl)-[3-(4-phenylisochroman-4-yl)propyl]amine hydrochloride Formula: C25H27Cl2NO MolecularWeight: 428.39398

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(CO1)(CCCNCC3=CC=CC=C3Cl)C4=CC=CC=C4.Cl

Isomeric SMILES

C1C2=CC=CC=C2C(CO1)(CCCNCC3=CC=CC=C3Cl)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H26ClNO.ClH/c26-24-14-7-5-9-20(24)17-27-16-8-15-25(22-11-2-1-3-12-22)19-28-18-21-10-4-6-13-23(21)25;/h1-7,9-14,27H,8,15-19H2;1H