N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide Openeye Name: N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide CAS Name: N-(1-azepanyl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-pyrazolecarboxamide IUPAC Name: N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide Traditional Name: N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide Formula: C23H23BrCl2N4O MolecularWeight: 522.26492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NN2CCCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(N(N=C1C(=O)NN2CCCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H23BrCl2N4O/c1-15-21(23(31)28-29-12-4-2-3-5-13-29)27-30(20-11-10-18(25)14-19(20)26)22(15)16-6-8-17(24)9-7-16/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)