3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[6-(3-ketopiperazino)-3-pyridyl]-1-methyl-pyrazole-4-carboxamide Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CN=C(C=C4)N5CCNC(=O)C5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CN=C(C=C4)N5CCNC(=O)C5

InChI

InChI=1S/C23H24N6O4/c1-28-13-17(22(27-28)15-3-5-18-19(11-15)33-10-2-9-32-18)23(31)26-16-4-6-20(25-12-16)29-8-7-24-21(30)14-29/h3-6,11-13H,2,7-10,14H2,1H3,(H,24,30)(H,26,31)