3-(2-methylpropyl)-4-[3-(phenylmethyl)piperazin-1-yl]phenol

Systemtic Name: 3-(2-methylpropyl)-4-[3-(phenylmethyl)piperazin-1-yl]phenol Openeye Name: 4-(3-benzylpiperazin-1-yl)-3-isobutyl-phenol CAS Name: 3-(2-methylpropyl)-4-[3-(phenylmethyl)-1-piperazinyl]phenol IUPAC Name: 4-(3-benzylpiperazin-1-yl)-3-(2-methylpropyl)phenol Traditional Name: 4-(3-benzylpiperazino)-3-isobutyl-phenol Formula: C21H28N2O MolecularWeight: 324.45982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O/c1-16(2)12-18-14-20(24)8-9-21(18)23-11-10-22-19(15-23)13-17-6-4-3-5-7-17/h3-9,14,16,19,22,24H,10-13,15H2,1-2H3