(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-1-[4-(phenylmethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-1-[4-(phenylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-1-yl)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-[4-(phenylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-1-yl)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazino)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C=CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)/C=C/C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C21H21BrN2O3/c22-18-13-20-19(26-15-27-20)12-17(18)6-7-21(25)24-10-8-23(9-11-24)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2/b7-6+