N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide

Systemtic Name: N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C22H23BrN4O2 MolecularWeight: 455.34762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)Br)C4CCNCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)Br)C4CCNCC4

InChI

InChI=1S/C22H23BrN4O2/c1-29-19-8-6-18(7-9-19)27-21(15-10-12-24-13-11-15)20(14-25-27)22(28)26-17-4-2-16(23)3-5-17/h2-9,14-15,24H,10-13H2,1H3,(H,26,28)