2-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-oxidanylideneazepan-3-yl)pyrazole-3-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-oxidanylideneazepan-3-yl)pyrazole-3-carboxamide Openeye Name: 2-(4-chlorophenyl)-5-(2-furyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide CAS Name: 2-(4-chlorophenyl)-5-(2-furanyl)-N-(2-oxo-3-azepanyl)-3-pyrazolecarboxamide IUPAC Name: 2-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide Traditional Name: 2-(4-chlorophenyl)-5-(2-furyl)-N-(2-ketoazepan-3-yl)pyrazole-3-carboxamide Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CO4

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C20H19ClN4O3/c21-13-6-8-14(9-7-13)25-17(12-16(24-25)18-5-3-11-28-18)20(27)23-15-4-1-2-10-22-19(15)26/h3,5-9,11-12,15H,1-2,4,10H2,(H,22,26)(H,23,27)