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

Systemtic Name: ethyl 4-[(4-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(2-thenoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N3O4S/c1-2-28-22(27)24-9-7-23(8-10-24)15-17-5-6-19-18(14-17)16-25(11-12-29-19)21(26)20-4-3-13-30-20/h3-6,13-14H,2,7-12,15-16H2,1H3