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

Systemtic Name: N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-5-(5-hex-1-ynylthiophen-2-yl)-4-methyl-pyrazole-3-carboxamide Openeye Name: N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-5-(5-hex-1-ynyl-2-thienyl)-4-methyl-pyrazole-3-carboxamide CAS Name: N-(1-azepanyl)-1-(2,4-dichlorophenyl)-5-(5-hex-1-ynyl-2-thiophenyl)-4-methyl-3-pyrazolecarboxamide IUPAC Name: N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-5-(5-hex-1-ynylthiophen-2-yl)-4-methylpyrazole-3-carboxamide Traditional Name: N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-5-(5-hex-1-ynyl-2-thienyl)-4-methyl-pyrazole-3-carboxamide Formula: C27H30Cl2N4OS MolecularWeight: 529.5243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=C(S1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCCC4)C

Isomeric SMILES

CCCCC#CC1=CC=C(S1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCCC4)C

InChI

InChI=1S/C27H30Cl2N4OS/c1-3-4-5-8-11-21-13-15-24(35-21)26-19(2)25(27(34)31-32-16-9-6-7-10-17-32)30-33(26)23-14-12-20(28)18-22(23)29/h12-15,18H,3-7,9-10,16-17H2,1-2H3,(H,31,34)