2-(2-chlorophenyl)-N-(2-oxidanylideneazepan-3-yl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: 2-(2-chlorophenyl)-N-(2-oxidanylideneazepan-3-yl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-(2-chlorophenyl)-N-(2-oxoazepan-3-yl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(2-chlorophenyl)-N-(2-oxo-3-azepanyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(2-chlorophenyl)-N-(2-oxoazepan-3-yl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(2-chlorophenyl)-N-(2-ketoazepan-3-yl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C20H19ClN4O2S MolecularWeight: 414.90846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CS4

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CS4

InChI

InChI=1S/C20H19ClN4O2S/c21-13-6-1-2-8-16(13)25-17(12-15(24-25)18-9-5-11-28-18)20(27)23-14-7-3-4-10-22-19(14)26/h1-2,5-6,8-9,11-12,14H,3-4,7,10H2,(H,22,26)(H,23,27)