2-(phenylmethyl)-8-(pyridin-4-ylmethyl)cyclooctan-1-one hydrochloride

Systemtic Name: 2-(phenylmethyl)-8-(pyridin-4-ylmethyl)cyclooctan-1-one hydrochloride Openeye Name: 2-benzyl-8-(4-pyridylmethyl)cyclooctanone hydrochloride CAS Name: 2-(phenylmethyl)-8-(pyridin-4-ylmethyl)-1-cyclooctanone hydrochloride IUPAC Name: 2-benzyl-8-(pyridin-4-ylmethyl)cyclooctan-1-one hydrochloride Traditional Name: 2-benzyl-8-(4-pyridylmethyl)cyclooctanone hydrochloride Formula: C21H26ClNO MolecularWeight: 343.89024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C(CC1)CC2=CC=NC=C2)CC3=CC=CC=C3.Cl

Isomeric SMILES

C1CCC(C(=O)C(CC1)CC2=CC=NC=C2)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H25NO.ClH/c23-21-19(15-17-7-3-1-4-8-17)9-5-2-6-10-20(21)16-18-11-13-22-14-12-18;/h1,3-4,7-8,11-14,19-20H,2,5-6,9-10,15-16H2;1H