3-[6-phenyl-2-[(1-phenylpropan-2-ylamino)methyl]cyclohepten-1-yl]phenol hydrochloride

Systemtic Name: 3-[6-phenyl-2-[(1-phenylpropan-2-ylamino)methyl]cyclohepten-1-yl]phenol hydrochloride Openeye Name: 3-[2-[[(1-methyl-2-phenyl-ethyl)amino]methyl]-6-phenyl-cyclohepten-1-yl]phenol hydrochloride CAS Name: 3-[6-phenyl-2-[(1-phenylpropan-2-ylamino)methyl]-1-cycloheptenyl]phenol hydrochloride IUPAC Name: 3-[6-phenyl-2-[(1-phenylpropan-2-ylamino)methyl]cyclohepten-1-yl]phenol hydrochloride Traditional Name: 3-[2-[[(1-methyl-2-phenyl-ethyl)amino]methyl]-6-phenyl-cyclohepten-1-yl]phenol hydrochloride Formula: C29H34ClNO MolecularWeight: 448.03936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NCC2=C(CC(CCC2)C3=CC=CC=C3)C4=CC(=CC=C4)O.Cl

Isomeric SMILES

CC(CC1=CC=CC=C1)NCC2=C(CC(CCC2)C3=CC=CC=C3)C4=CC(=CC=C4)O.Cl

InChI

InChI=1S/C29H33NO.ClH/c1-22(18-23-10-4-2-5-11-23)30-21-27-16-8-14-25(24-12-6-3-7-13-24)20-29(27)26-15-9-17-28(31)19-26;/h2-7,9-13,15,17,19,22,25,30-31H,8,14,16,18,20-21H2,1H3;1H