3-[[4-bromanyl-5-(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)thiophen-2-yl]methyl]phenol

Systemtic Name: 3-[[4-bromanyl-5-(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)thiophen-2-yl]methyl]phenol Openeye Name: 3-[[5-(4-allyl-2,5-dimethyl-piperazin-1-yl)-4-bromo-2-thienyl]methyl]phenol CAS Name: 3-[[4-bromo-5-(2,5-dimethyl-4-prop-2-enyl-1-piperazinyl)-2-thiophenyl]methyl]phenol IUPAC Name: 3-[[4-bromo-5-(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)thiophen-2-yl]methyl]phenol Traditional Name: 3-[[5-(4-allyl-2,5-dimethyl-piperazino)-4-bromo-2-thienyl]methyl]phenol Formula: C20H25BrN2OS MolecularWeight: 421.3943

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C2=C(C=C(S2)CC3=CC(=CC=C3)O)Br)C)CC=C

Isomeric SMILES

CC1CN(C(CN1C2=C(C=C(S2)CC3=CC(=CC=C3)O)Br)C)CC=C

InChI

InChI=1S/C20H25BrN2OS/c1-4-8-22-12-15(3)23(13-14(22)2)20-19(21)11-18(25-20)10-16-6-5-7-17(24)9-16/h4-7,9,11,14-15,24H,1,8,10,12-13H2,2-3H3