N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H26N4O2S/c28-22-12-5-2-6-14-26(22)15-8-13-24-23(29)20-17-19(21-11-7-16-30-21)25-27(20)18-9-3-1-4-10-18/h1,3-4,7,9-11,16-17H,2,5-6,8,12-15H2,(H,24,29)