3-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]benzamide

Systemtic Name: 3-(3-methyl-3-oxidanyl-but-1-ynyl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]benzamide Openeye Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]benzamide CAS Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]benzamide IUPAC Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]benzamide Traditional Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]benzamide Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)C(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CSC=C4)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CSC=C4)O

InChI

InChI=1S/C27H28N2O3S/c1-27(2,31)12-10-20-6-5-8-21(16-20)26(30)28-13-14-29-17-22-7-3-4-9-24(22)32-25(18-29)23-11-15-33-19-23/h3-9,11,15-16,19,25,31H,13-14,17-18H2,1-2H3,(H,28,30)