ethyl 4-(9-oxidanyl-7-pyridin-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(9-oxidanyl-7-pyridin-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-[9-hydroxy-7-(2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate CAS Name: 4-[9-hydroxy-7-(2-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(9-hydroxy-7-pyridin-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)piperidine-1-carboxylate Traditional Name: 4-[9-hydroxy-7-(2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3O)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3O)C4=CC=CC=N4

InChI

InChI=1S/C22H27N3O4/c1-2-28-22(27)24-9-6-18(7-10-24)25-11-12-29-21-17(15-25)13-16(14-20(21)26)19-5-3-4-8-23-19/h3-5,8,13-14,18,26H,2,6-7,9-12,15H2,1H3