1-phenanthren-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone hydrochloride

Systemtic Name: 1-phenanthren-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone hydrochloride Openeye Name: 1-(3-phenanthryl)-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone hydrochloride CAS Name: 1-(3-phenanthrenyl)-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone hydrochloride IUPAC Name: 1-phenanthren-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone hydrochloride Traditional Name: 1-(3-phenanthryl)-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone hydrochloride Formula: C25H22ClNO MolecularWeight: 387.90128

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC=CC=C21)CC(=O)C3=CC4=C(C=CC5=CC=CC=C54)C=C3.Cl

Isomeric SMILES

C1C(NCC2=CC=CC=C21)CC(=O)C3=CC4=C(C=CC5=CC=CC=C54)C=C3.Cl

InChI

InChI=1S/C25H21NO.ClH/c27-25(15-22-13-19-6-1-2-7-21(19)16-26-22)20-12-11-18-10-9-17-5-3-4-8-23(17)24(18)14-20;/h1-12,14,22,26H,13,15-16H2;1H