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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(2-ketopyrrolidino)benzyl]-1-methyl-pyrazole-4-carboxamide Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CC=C(C=C4)N5CCCC5=O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CC=C(C=C4)N5CCCC5=O

InChI

InChI=1S/C25H26N4O4/c1-28-16-20(24(27-28)18-7-10-21-22(14-18)33-13-3-12-32-21)25(31)26-15-17-5-8-19(9-6-17)29-11-2-4-23(29)30/h5-10,14,16H,2-4,11-13,15H2,1H3,(H,26,31)