furan-2-yl-[4-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]methanone Openeye Name: [4-[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: 2-furanyl-[4-[[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: [4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]piperazino]-(2-furyl)methanone Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c1-20-9-11-22(12-10-20)25-23(19-31(28-25)18-21-6-3-2-4-7-21)26(32)29-13-15-30(16-14-29)27(33)24-8-5-17-34-24/h2-12,17,19H,13-16,18H2,1H3