ethyl 4-[[4-(3-methyl-4-oxidanylidene-pentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(3-methyl-4-oxidanylidene-pentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-(3-methyl-4-oxo-pentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-(3-methyl-1,4-dioxopentyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-methyl-4-oxopentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(4-keto-3-methyl-pentanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC(C)C(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC(C)C(=O)C

InChI

InChI=1S/C23H33N3O5/c1-4-30-23(29)25-9-7-24(8-10-25)15-19-5-6-21-20(14-19)16-26(11-12-31-21)22(28)13-17(2)18(3)27/h5-6,14,17H,4,7-13,15-16H2,1-3H3