2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[2-(pyrazol-1-ylmethyl)benzyl]acetamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)NCC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)NCC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C22H22N4O3/c27-21(16-26-19-8-3-4-9-20(19)29-13-10-22(26)28)23-14-17-6-1-2-7-18(17)15-25-12-5-11-24-25/h1-9,11-12H,10,13-16H2,(H,23,27)