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

Systemtic Name: 3-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-4-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-4-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C)C4=CC=CC=C4

InChI

InChI=1S/C27H25N5O3/c1-3-17-28-27(34)30-21-13-11-20(12-14-21)29-26(33)24-18-32(22-7-5-4-6-8-22)31-25(24)19-9-15-23(35-2)16-10-19/h3-16,18H,1,17H2,2H3,(H,29,33)(H2,28,30,34)