1-(2-bromophenyl)-4-cyano-N-piperidin-1-yl-5-(4-prop-2-enoxyphenyl)pyrazole-3-carboxamide

Systemtic Name: 1-(2-bromophenyl)-4-cyano-N-piperidin-1-yl-5-(4-prop-2-enoxyphenyl)pyrazole-3-carboxamide Openeye Name: 5-(4-allyloxyphenyl)-1-(2-bromophenyl)-4-cyano-N-(1-piperidyl)pyrazole-3-carboxamide CAS Name: 1-(2-bromophenyl)-4-cyano-N-(1-piperidinyl)-5-(4-prop-2-enoxyphenyl)-3-pyrazolecarboxamide IUPAC Name: 1-(2-bromophenyl)-4-cyano-N-piperidin-1-yl-5-(4-prop-2-enoxyphenyl)pyrazole-3-carboxamide Traditional Name: 5-(4-allyloxyphenyl)-1-(2-bromophenyl)-4-cyano-N-piperidino-pyrazole-3-carboxamide Formula: C25H24BrN5O2 MolecularWeight: 506.39436

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3Br)C(=O)NN4CCCCC4)C#N

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3Br)C(=O)NN4CCCCC4)C#N

InChI

InChI=1S/C25H24BrN5O2/c1-2-16-33-19-12-10-18(11-13-19)24-20(17-27)23(25(32)29-30-14-6-3-7-15-30)28-31(24)22-9-5-4-8-21(22)26/h2,4-5,8-13H,1,3,6-7,14-16H2,(H,29,32)