N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-methoxy-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-methoxy-1-methyl-pyrazole-4-carboxamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-methoxy-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-methoxy-1-methylpyrazole-4-carboxamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-methoxy-1-methyl-pyrazole-4-carboxamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=CN(N=C3OC)C)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=CN(N=C3OC)C)OCC(C1=O)(C)C

InChI

InChI=1S/C21H28N4O4/c1-13(2)10-25-16-8-7-14(9-17(16)29-12-21(3,4)20(25)27)22-18(26)15-11-24(5)23-19(15)28-6/h7-9,11,13H,10,12H2,1-6H3,(H,22,26)