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

Systemtic Name: 2-(2,4-dimethylphenyl)-N-(2-oxidanylideneazepan-3-yl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-N-(2-oxoazepan-3-yl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-N-(2-oxo-3-azepanyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-N-(2-oxoazepan-3-yl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-(2-ketoazepan-3-yl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)NC4CCCCNC4=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)NC4CCCCNC4=O)C

InChI

InChI=1S/C22H24N4O2S/c1-14-8-9-18(15(2)12-14)26-19(13-17(25-26)20-7-5-11-29-20)22(28)24-16-6-3-4-10-23-21(16)27/h5,7-9,11-13,16H,3-4,6,10H2,1-2H3,(H,23,27)(H,24,28)