N-[4-(2-oxidanylidenepropylamino)butyl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[4-(2-oxidanylidenepropylamino)butyl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-[4-(acetonylamino)butyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[4-(2-oxopropylamino)butyl]-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[4-(2-oxopropylamino)butyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-[4-(acetonylamino)butyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNCCCCNC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CNCCCCNC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-16(26)14-22-11-5-6-12-23-21(27)18-15-25(17-8-3-2-4-9-17)24-20(18)19-10-7-13-28-19/h2-4,7-10,13,15,22H,5-6,11-12,14H2,1H3,(H,23,27)