N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

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