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

Systemtic Name: methyl 1-[[4-(1H-pyrazol-4-ylcarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[4-(1H-pyrazole-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-[oxo(1H-pyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(1H-pyrazole-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(1H-pyrazole-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]isonipecotic acid methyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-28-21(27)16-4-6-24(7-5-16)13-15-2-3-19-17(10-15)14-25(8-9-29-19)20(26)18-11-22-23-12-18/h2-3,10-12,16H,4-9,13-14H2,1H3,(H,22,23)