1-(2-methoxyphenyl)-3-[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]pyrazol-3-yl]urea

Systemtic Name: 1-(2-methoxyphenyl)-3-[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]pyrazol-3-yl]urea Openeye Name: 1-(2-methoxyphenyl)-3-[2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]pyrazol-3-yl]urea CAS Name: 1-(2-methoxyphenyl)-3-[2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-methoxyphenyl)-3-[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]pyrazol-3-yl]urea Traditional Name: 1-(2-methoxyphenyl)-3-[2-[1-(3-phenylpropioloyl)-4-piperidyl]pyrazol-3-yl]urea Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O3/c1-33-22-10-6-5-9-21(22)27-25(32)28-23-13-16-26-30(23)20-14-17-29(18-15-20)24(31)12-11-19-7-3-2-4-8-19/h2-10,13,16,20H,14-15,17-18H2,1H3,(H2,27,28,32)