[9-methoxy-7-(6-methoxypyridazin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1-phenylcyclohexyl)methanone

Systemtic Name: [9-methoxy-7-(6-methoxypyridazin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1-phenylcyclohexyl)methanone Openeye Name: [9-methoxy-7-(6-methoxypyridazin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1-phenylcyclohexyl)methanone CAS Name: [9-methoxy-7-(6-methoxy-3-pyridazinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1-phenylcyclohexyl)methanone IUPAC Name: [9-methoxy-7-(6-methoxypyridazin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1-phenylcyclohexyl)methanone Traditional Name: [9-methoxy-7-(6-methoxypyridazin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1-phenylcyclohexyl)methanone Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)C4(CCCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=NN=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)C4(CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O4/c1-33-24-18-20(23-11-12-25(34-2)30-29-23)17-21-19-31(15-16-35-26(21)24)27(32)28(13-7-4-8-14-28)22-9-5-3-6-10-22/h3,5-6,9-12,17-18H,4,7-8,13-16,19H2,1-2H3