N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C27H25N3O3/c1-29(27(31)21-13-14-24-25(17-21)33-16-8-15-32-24)18-22-19-30(23-11-6-3-7-12-23)28-26(22)20-9-4-2-5-10-20/h2-7,9-14,17,19H,8,15-16,18H2,1H3