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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanone Traditional Name: (1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-(4-piperonylpiperazino)methanone Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

InChI

InChI=1S/C26H25N5O3/c32-26(22-17-27-31(21-6-2-1-3-7-21)25(22)29-10-4-5-11-29)30-14-12-28(13-15-30)18-20-8-9-23-24(16-20)34-19-33-23/h1-11,16-17H,12-15,18-19H2