3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-methyl-pyrazole-4-carboxamide Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C

InChI

InChI=1S/C25H25N5O4/c1-16-22(25(32)30(29(16)3)18-8-5-4-6-9-18)26-24(31)19-15-28(2)27-23(19)17-10-11-20-21(14-17)34-13-7-12-33-20/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,26,31)