3-(4-methylphenyl)-1-(phenylmethyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-4-carboxamide

Systemtic Name: 3-(4-methylphenyl)-1-(phenylmethyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-4-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-1-benzyl-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: 3-(4-methylphenyl)-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(4-methylphenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-4-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-1-benzyl-3-(p-tolyl)pyrazole-4-carboxamide Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C)CC4=CC=CC=C4

InChI

InChI=1S/C28H27N5O2/c1-3-17-29-28(35)31-24-15-13-23(14-16-24)30-27(34)25-19-33(18-21-7-5-4-6-8-21)32-26(25)22-11-9-20(2)10-12-22/h3-16,19H,1,17-18H2,2H3,(H,30,34)(H2,29,31,35)