N-(azepan-1-yl)-4-bromanyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide

Systemtic Name: N-(azepan-1-yl)-4-bromanyl-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide Openeye Name: N-(azepan-1-yl)-4-bromo-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide CAS Name: N-(1-azepanyl)-4-bromo-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-3-pyrazolecarboxamide IUPAC Name: N-(azepan-1-yl)-4-bromo-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide Traditional Name: N-(azepan-1-yl)-4-bromo-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide Formula: C23H23BrCl2N4O2 MolecularWeight: 538.26432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCCC4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCCC4)Br

InChI

InChI=1S/C23H23BrCl2N4O2/c1-32-17-9-6-15(7-10-17)22-20(24)21(23(31)28-29-12-4-2-3-5-13-29)27-30(22)19-11-8-16(25)14-18(19)26/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)