methyl 1-[[4-(2,3-dimethylquinoxalin-6-yl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[4-(2,3-dimethylquinoxalin-6-yl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[4-(2,3-dimethylquinoxaline-6-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(2,3-dimethyl-6-quinoxalinyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(2,3-dimethylquinoxaline-6-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(2,3-dimethylquinoxaline-6-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]isonipecotic acid methyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CCOC4=C(C3)C=C(C=C4)CN5CCC(CC5)C(=O)OC)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CCOC4=C(C3)C=C(C=C4)CN5CCC(CC5)C(=O)OC)N=C1C

InChI

InChI=1S/C28H32N4O4/c1-18-19(2)30-25-15-22(5-6-24(25)29-18)27(33)32-12-13-36-26-7-4-20(14-23(26)17-32)16-31-10-8-21(9-11-31)28(34)35-3/h4-7,14-15,21H,8-13,16-17H2,1-3H3