1-(2-cyanophenyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]urea

Systemtic Name: 1-(2-cyanophenyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]urea Openeye Name: 1-(2-cyanophenyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]urea CAS Name: 1-(2-cyanophenyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]urea IUPAC Name: 1-(2-cyanophenyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]urea Traditional Name: 1-(2-cyanophenyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]urea Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2NC(=O)NC3=CC=CC=C3C#N)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2NC(=O)NC3=CC=CC=C3C#N)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H21N5O3/c1-32-22-13-12-17(14-23(22)33-2)24-21(16-30(29-24)19-9-4-3-5-10-19)28-25(31)27-20-11-7-6-8-18(20)15-26/h3-14,16H,1-2H3,(H2,27,28,31)