5-(azocan-1-yl)-4-methyl-3,3-diphenyl-pentan-2-one hydrochloride

Systemtic Name: 5-(azocan-1-yl)-4-methyl-3,3-diphenyl-pentan-2-one hydrochloride Openeye Name: 5-(azocan-1-yl)-4-methyl-3,3-diphenyl-pentan-2-one hydrochloride CAS Name: 5-(1-azocanyl)-4-methyl-3,3-diphenyl-2-pentanone hydrochloride IUPAC Name: 5-(azocan-1-yl)-4-methyl-3,3-diphenylpentan-2-one hydrochloride Traditional Name: 5-(azocan-1-yl)-4-methyl-3,3-diphenyl-pentan-2-one hydrochloride Formula: C25H34ClNO MolecularWeight: 399.99656

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)C.Cl

Isomeric SMILES

CC(CN1CCCCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)C.Cl

InChI

InChI=1S/C25H33NO.ClH/c1-21(20-26-18-12-4-3-5-13-19-26)25(22(2)27,23-14-8-6-9-15-23)24-16-10-7-11-17-24;/h6-11,14-17,21H,3-5,12-13,18-20H2,1-2H3;1H