[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone Traditional Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(4-piperonylpiperazino)methanone Formula: C22H21BrN4O3 MolecularWeight: 469.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NN4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H21BrN4O3/c23-17-4-2-16(3-5-17)18-12-19(25-24-18)22(28)27-9-7-26(8-10-27)13-15-1-6-20-21(11-15)30-14-29-20/h1-6,11-12H,7-10,13-14H2,(H,24,25)