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

Systemtic Name: N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-(2-amino-2-oxo-ethoxy)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-[3-(2-amino-2-keto-ethoxy)phenyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC(=CC=C4)OCC(=O)N

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC(=CC=C4)OCC(=O)N

InChI

InChI=1S/C22H22N4O5/c1-26-12-17(22(28)24-15-4-2-5-16(11-15)31-13-20(23)27)21(25-26)14-6-7-18-19(10-14)30-9-3-8-29-18/h2,4-7,10-12H,3,8-9,13H2,1H3,(H2,23,27)(H,24,28)