3-(4-bromophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-bromophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]-1H-pyrazole-5-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-3-(4-bromophenyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(4-bromophenyl)-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-bromophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]-1H-pyrazole-5-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-3-(4-bromophenyl)-1H-pyrazole-5-carboxamide Formula: C20H18BrN5O2 MolecularWeight: 440.29322

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrN5O2/c1-2-11-22-20(28)24-16-9-7-15(8-10-16)23-19(27)18-12-17(25-26-18)13-3-5-14(21)6-4-13/h2-10,12H,1,11H2,(H,23,27)(H,25,26)(H2,22,24,28)