N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-methoxy-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-methoxy-1-methyl-pyrazole-4-carboxamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-methoxy-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-methoxy-1-methylpyrazole-4-carboxamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-methoxy-1-methyl-pyrazole-4-carboxamide Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3=CN(N=C3OC)C)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3=CN(N=C3OC)C)OCC(C1=O)(C)C

InChI

InChI=1S/C22H30N4O4/c1-14(2)9-10-26-17-11-15(7-8-18(17)30-13-22(3,4)21(26)28)23-19(27)16-12-25(5)24-20(16)29-6/h7-8,11-12,14H,9-10,13H2,1-6H3,(H,23,27)