2-(3,4-dichlorophenyl)-N-(2-oxidanylideneazepan-3-yl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: 2-(3,4-dichlorophenyl)-N-(2-oxidanylideneazepan-3-yl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-(3,4-dichlorophenyl)-N-(2-oxoazepan-3-yl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(3,4-dichlorophenyl)-N-(2-oxo-3-azepanyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(3,4-dichlorophenyl)-N-(2-oxoazepan-3-yl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(3,4-dichlorophenyl)-N-(2-ketoazepan-3-yl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C20H18Cl2N4O2S MolecularWeight: 449.35352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2C3=CC(=C(C=C3)Cl)Cl)C4=CC=CS4

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2C3=CC(=C(C=C3)Cl)Cl)C4=CC=CS4

InChI

InChI=1S/C20H18Cl2N4O2S/c21-13-7-6-12(10-14(13)22)26-17(11-16(25-26)18-5-3-9-29-18)20(28)24-15-4-1-2-8-23-19(15)27/h3,5-7,9-11,15H,1-2,4,8H2,(H,23,27)(H,24,28)