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

Systemtic Name: N-(azepan-1-yl)-3-(4-bromanylthiophen-2-yl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide Openeye Name: N-(azepan-1-yl)-3-(4-bromo-2-thienyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide CAS Name: N-(1-azepanyl)-3-(4-bromo-2-thiophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide IUPAC Name: N-(azepan-1-yl)-3-(4-bromothiophen-2-yl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide Traditional Name: N-(azepan-1-yl)-5-(4-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-2-pyrazoline-3-carboxamide Formula: C20H21BrCl2N4OS MolecularWeight: 516.28194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC(=O)C2=NN(C(C2)C3=CC(=CS3)Br)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)NC(=O)C2=NN(C(C2)C3=CC(=CS3)Br)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H21BrCl2N4OS/c21-13-9-19(29-12-13)18-11-16(20(28)25-26-7-3-1-2-4-8-26)24-27(18)17-6-5-14(22)10-15(17)23/h5-6,9-10,12,18H,1-4,7-8,11H2,(H,25,28)