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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC=CC=C3Br)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC=CC=C3Br)CCC#N

InChI

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