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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-piperonylpiperazino)methanone Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N4O3/c1-17-23(18(2)28(25-17)20-6-4-3-5-7-20)24(29)27-12-10-26(11-13-27)15-19-8-9-21-22(14-19)31-16-30-21/h3-9,14H,10-13,15-16H2,1-2H3