1,3-bis[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]urea

Systemtic Name: 1,3-bis[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]urea Openeye Name: 1,3-bis[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]urea CAS Name: 1,3-bis[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]urea IUPAC Name: 1,3-bis[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea Traditional Name: 1,3-bis[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]urea Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)NCC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)NCC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N6O/c1-17-23(19(3)30(28-17)21-11-7-5-8-12-21)15-26-25(32)27-16-24-18(2)29-31(20(24)4)22-13-9-6-10-14-22/h5-14H,15-16H2,1-4H3,(H2,26,27,32)