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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[2-(phenoxymethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[2-(phenoxymethyl)benzyl]pyrazole-4-carboxamide Formula: C28H27N3O4 MolecularWeight: 469.53168

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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=C4COC5=CC=CC=C5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=CC=CC=C4COC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4/c1-31-18-24(27(30-31)20-12-13-25-26(16-20)34-15-7-14-33-25)28(32)29-17-21-8-5-6-9-22(21)19-35-23-10-3-2-4-11-23/h2-6,8-13,16,18H,7,14-15,17,19H2,1H3,(H,29,32)