3-methyl-4-[3-(phenylmethyl)piperazin-1-yl]phenol

Systemtic Name: 3-methyl-4-[3-(phenylmethyl)piperazin-1-yl]phenol Openeye Name: 4-(3-benzylpiperazin-1-yl)-3-methyl-phenol CAS Name: 3-methyl-4-[3-(phenylmethyl)-1-piperazinyl]phenol IUPAC Name: 4-(3-benzylpiperazin-1-yl)-3-methylphenol Traditional Name: 4-(3-benzylpiperazino)-3-methyl-phenol Formula: C18H22N2O MolecularWeight: 282.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O/c1-14-11-17(21)7-8-18(14)20-10-9-19-16(13-20)12-15-5-3-2-4-6-15/h2-8,11,16,19,21H,9-10,12-13H2,1H3