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

Systemtic Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[1-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-benzyltriazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-[1-(phenylmethyl)-4-triazolyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-benzyltriazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzyltriazol-4-yl)-1-(4-piperonylpiperazino)prop-2-en-1-one Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CN(N=N4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CN(N=N4)CC5=CC=CC=C5

InChI

InChI=1S/C24H25N5O3/c30-24(9-7-21-17-29(26-25-21)16-19-4-2-1-3-5-19)28-12-10-27(11-13-28)15-20-6-8-22-23(14-20)32-18-31-22/h1-9,14,17H,10-13,15-16,18H2/b9-7+