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

Systemtic Name: N-(azepan-1-yl)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide Openeye Name: N-(azepan-1-yl)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide CAS Name: N-(1-azepanyl)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide IUPAC Name: N-(azepan-1-yl)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide Traditional Name: N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-2-pyrazoline-3-carboxamide Formula: C22H23BrCl2N4O MolecularWeight: 510.25422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrCl2N4O/c23-16-7-5-15(6-8-16)21-14-19(22(30)27-28-11-3-1-2-4-12-28)26-29(21)20-10-9-17(24)13-18(20)25/h5-10,13,21H,1-4,11-12,14H2,(H,27,30)