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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone Traditional Name: [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-(4-piperonylpiperazino)methanone Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN(N=C4C5=CN=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN(N=C4C5=CN=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H25N5O3/c33-27(31-13-11-30(12-14-31)17-20-8-9-24-25(15-20)35-19-34-24)23-18-32(22-6-2-1-3-7-22)29-26(23)21-5-4-10-28-16-21/h1-10,15-16,18H,11-14,17,19H2