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

Systemtic Name: methyl 1-[[4-(4-piperidin-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[4-[4-(1-piperidyl)benzoyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-[oxo-[4-(1-piperidinyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(4-piperidin-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(4-piperidinobenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]isonipecotic acid methyl ester Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=C(C=C4)N5CCCCC5

Isomeric SMILES

COC(=O)C1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=C(C=C4)N5CCCCC5

InChI

InChI=1S/C29H37N3O4/c1-35-29(34)24-11-15-30(16-12-24)20-22-5-10-27-25(19-22)21-32(17-18-36-27)28(33)23-6-8-26(9-7-23)31-13-3-2-4-14-31/h5-10,19,24H,2-4,11-18,20-21H2,1H3