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

Systemtic Name: ethyl 4-[3-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCN2CC(OC3=CC=CC=C3C2)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCN2CC(OC3=CC=CC=C3C2)C

InChI

InChI=1S/C20H29N3O4/c1-3-26-20(25)23-12-10-22(11-13-23)19(24)8-9-21-14-16(2)27-18-7-5-4-6-17(18)15-21/h4-7,16H,3,8-15H2,1-2H3