[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)-2-phenyl-pyrazol-3-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)-2-phenyl-pyrazol-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-(5-methyl-2-furyl)-2-phenyl-pyrazol-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[5-(5-methyl-2-furanyl)-2-phenyl-3-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)-2-phenylpyrazol-3-yl]methanone Traditional Name: [5-(5-methyl-2-furyl)-2-phenyl-pyrazol-3-yl]-(4-piperonylpiperazino)methanone Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C27H26N4O4/c1-19-7-9-24(35-19)22-16-23(31(28-22)21-5-3-2-4-6-21)27(32)30-13-11-29(12-14-30)17-20-8-10-25-26(15-20)34-18-33-25/h2-10,15-16H,11-14,17-18H2,1H3