3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(2-ketopyrrolidino)phenyl]-1-methyl-pyrazole-4-carboxamide Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC=CC(=C4)N5CCCC5=O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC=CC(=C4)N5CCCC5=O

InChI

InChI=1S/C24H24N4O4/c1-27-15-19(23(26-27)16-8-9-20-21(13-16)32-12-4-11-31-20)24(30)25-17-5-2-6-18(14-17)28-10-3-7-22(28)29/h2,5-6,8-9,13-15H,3-4,7,10-12H2,1H3,(H,25,30)