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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2-methoxypyridin-3-yl)methyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2-methoxy-3-pyridyl)methyl]-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2-methoxypyridin-3-yl)methyl]-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(2-methoxy-3-pyridyl)methyl]-1-methyl-pyrazole-4-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=C(N=CC=C4)OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCC4=C(N=CC=C4)OC

InChI

InChI=1S/C21H22N4O4/c1-25-13-16(20(26)23-12-15-5-3-8-22-21(15)27-2)19(24-25)14-6-7-17-18(11-14)29-10-4-9-28-17/h3,5-8,11,13H,4,9-10,12H2,1-2H3,(H,23,26)