ethyl 4-[7-[(4-oxidanyl-4-pyridin-3-yl-piperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[7-[(4-oxidanyl-4-pyridin-3-yl-piperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[7-[[4-hydroxy-4-(3-pyridyl)-1-piperidyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate CAS Name: 4-[7-[[4-hydroxy-4-(3-pyridinyl)-1-piperidinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-[(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[7-[[4-hydroxy-4-(3-pyridyl)piperidino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylic acid ethyl ester Formula: C28H38N4O4 MolecularWeight: 494.62572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)(C5=CN=CC=C5)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)(C5=CN=CC=C5)O

InChI

InChI=1S/C28H38N4O4/c1-2-35-27(33)31-12-7-25(8-13-31)32-16-17-36-26-6-5-22(18-23(26)21-32)20-30-14-9-28(34,10-15-30)24-4-3-11-29-19-24/h3-6,11,18-19,25,34H,2,7-10,12-17,20-21H2,1H3