6-(aminocarbonylamino)-N-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-hexanamide

Systemtic Name: 6-(aminocarbonylamino)-N-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-hexanamide Openeye Name: N-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-6-ureido-hexanamide CAS Name: 6-(carbamoylamino)-N-[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methyl]-N-methylhexanamide IUPAC Name: 6-(carbamoylamino)-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylhexanamide Traditional Name: N-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-6-ureido-hexanamide Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2CN(C)C(=O)CCCCCNC(=O)N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2CN(C)C(=O)CCCCCNC(=O)N)C3=CC=CC=C3)C

InChI

InChI=1S/C26H33N5O2/c1-19-13-14-21(16-20(19)2)25-22(18-31(29-25)23-10-6-4-7-11-23)17-30(3)24(32)12-8-5-9-15-28-26(27)33/h4,6-7,10-11,13-14,16,18H,5,8-9,12,15,17H2,1-3H3,(H3,27,28,33)