3-[(9-chloranyl-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-8-yl)oxy]-N-(1-methylpyrazol-3-yl)-5-[(3S)-oxolan-3-yl]oxy-benzamide

Systemtic Name: 3-[(9-chloranyl-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-8-yl)oxy]-N-(1-methylpyrazol-3-yl)-5-[(3S)-oxolan-3-yl]oxy-benzamide Openeye Name: 3-[(9-chloro-4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-8-yl)oxy]-N-(1-methylpyrazol-3-yl)-5-[(3S)-tetrahydrofuran-3-yl]oxy-benzamide CAS Name: 3-[(9-chloro-4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-8-yl)oxy]-N-(1-methyl-3-pyrazolyl)-5-[[(3S)-3-oxolanyl]oxy]benzamide IUPAC Name: 3-[(9-chloro-4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-8-yl)oxy]-N-(1-methylpyrazol-3-yl)-5-[(3S)-oxolan-3-yl]oxybenzamide Traditional Name: 3-[(9-chloro-5-keto-4-methyl-2,3-dihydro-1,4-benzoxazepin-8-yl)oxy]-N-(1-methylpyrazol-3-yl)-5-[(3S)-tetrahydrofuran-3-yl]oxy-benzamide Formula: C25H25ClN4O6 MolecularWeight: 512.9422

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C(C1=O)C=CC(=C2Cl)OC3=CC(=CC(=C3)C(=O)NC4=NN(C=C4)C)OC5CCOC5

Isomeric SMILES

CN1CCOC2=C(C1=O)C=CC(=C2Cl)OC3=CC(=CC(=C3)C(=O)NC4=NN(C=C4)C)O[C@H]5CCOC5

InChI

InChI=1S/C25H25ClN4O6/c1-29-8-10-34-23-19(25(29)32)3-4-20(22(23)26)36-18-12-15(24(31)27-21-5-7-30(2)28-21)11-17(13-18)35-16-6-9-33-14-16/h3-5,7,11-13,16H,6,8-10,14H2,1-2H3,(H,27,28,31)/t16-/m0/s1