1-[[4-[(5-acetamidothiophen-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: 1-[[4-[(5-acetamidothiophen-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-[[4-[(5-acetamido-2-thienyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[[4-[(5-acetamido-2-thiophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-[[4-[(5-acetamidothiophen-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[[4-[(5-acetamido-2-thienyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N,N-diethyl-nipecotamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=C(S4)NC(=O)C

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=C(S4)NC(=O)C

InChI

InChI=1S/C27H38N4O3S/c1-4-31(5-2)27(33)22-7-6-12-29(17-22)16-21-8-10-25-23(15-21)18-30(13-14-34-25)19-24-9-11-26(35-24)28-20(3)32/h8-11,15,22H,4-7,12-14,16-19H2,1-3H3,(H,28,32)