methyl 1-[[4-(2-morpholin-4-ylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[4-(2-morpholin-4-ylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[4-(2-morpholinopropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-[2-(4-morpholinyl)-1-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(2-morpholin-4-ylpropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(2-morpholinopropanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]isonipecotic acid methyl ester Formula: C24H35N3O5 MolecularWeight: 445.5518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOC2=C(C1)C=C(C=C2)CN3CCC(CC3)C(=O)OC)N4CCOCC4

Isomeric SMILES

CC(C(=O)N1CCOC2=C(C1)C=C(C=C2)CN3CCC(CC3)C(=O)OC)N4CCOCC4

InChI

InChI=1S/C24H35N3O5/c1-18(26-9-12-31-13-10-26)23(28)27-11-14-32-22-4-3-19(15-21(22)17-27)16-25-7-5-20(6-8-25)24(29)30-2/h3-4,15,18,20H,5-14,16-17H2,1-2H3