N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2,5-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)NC3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C(=O)NC3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O5/c1-32-20-10-12-23(33-2)21(16-20)26-22(17-30(29-26)19-7-4-3-5-8-19)27(31)28-18-9-11-24-25(15-18)35-14-6-13-34-24/h3-5,7-12,15-17H,6,13-14H2,1-2H3,(H,28,31)