N-(azepan-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide

Systemtic Name: N-(azepan-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide Openeye Name: N-(azepan-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide CAS Name: N-(1-azepanyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-pyrazolecarboxamide IUPAC Name: N-(azepan-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide Traditional Name: N-(azepan-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide Formula: C22H21Cl3N4O MolecularWeight: 463.78734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)NC(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21Cl3N4O/c23-16-7-5-15(6-8-16)21-18(22(30)27-28-11-3-1-2-4-12-28)14-26-29(21)20-10-9-17(24)13-19(20)25/h5-10,13-14H,1-4,11-12H2,(H,27,30)