[7-(5-chloranyl-2-methoxy-phenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1H-pyrazol-4-yl)methanone

Systemtic Name: [7-(5-chloranyl-2-methoxy-phenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1H-pyrazol-4-yl)methanone Openeye Name: [7-(5-chloro-2-methoxy-phenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1H-pyrazol-4-yl)methanone CAS Name: [7-(5-chloro-2-methoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1H-pyrazol-4-yl)methanone IUPAC Name: [7-(5-chloro-2-methoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1H-pyrazol-4-yl)methanone Traditional Name: [7-(5-chloro-2-methoxy-phenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1H-pyrazol-4-yl)methanone Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)C4=CNN=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)C4=CNN=C4

InChI

InChI=1S/C21H20ClN3O4/c1-27-18-4-3-16(22)9-17(18)13-7-14-12-25(21(26)15-10-23-24-11-15)5-6-29-20(14)19(8-13)28-2/h3-4,7-11H,5-6,12H2,1-2H3,(H,23,24)