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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCOC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCOC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4/c1-25-15-18(22(26)23-10-13-27-17-6-3-2-4-7-17)21(24-25)16-8-9-19-20(14-16)29-12-5-11-28-19/h2-4,6-9,14-15H,5,10-13H2,1H3,(H,23,26)