3-(3-bromophenyl)-1-(2-cyanoethyl)-N-(4-methoxyphenyl)pyrazole-4-carboxamide

Systemtic Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-N-(4-methoxyphenyl)pyrazole-4-carboxamide Openeye Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-N-(4-methoxyphenyl)pyrazole-4-carboxamide CAS Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-N-(4-methoxyphenyl)-4-pyrazolecarboxamide IUPAC Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-N-(4-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-N-(4-methoxyphenyl)pyrazole-4-carboxamide Formula: C20H17BrN4O2 MolecularWeight: 425.27858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)CCC#N

InChI

InChI=1S/C20H17BrN4O2/c1-27-17-8-6-16(7-9-17)23-20(26)18-13-25(11-3-10-22)24-19(18)14-4-2-5-15(21)12-14/h2,4-9,12-13H,3,11H2,1H3,(H,23,26)