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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2-methoxyphenyl)methyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2-methoxyphenyl)methyl]-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2-methoxyphenyl)methyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-o-anisyl-pyrazole-4-carboxamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CC=CC=C4OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CC=CC=C4OC

InChI

InChI=1S/C22H23N3O4/c1-25-14-17(22(26)23-13-16-6-3-4-7-18(16)27-2)21(24-25)15-8-9-19-20(12-15)29-11-5-10-28-19/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,23,26)