(2S)-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-[5-methyl-6-oxidanylidene-3-[[4-(phenylcarbonyl)phenyl]methoxy]-7H-benzo[d][1]benzazepin-7-yl]propanamide

Systemtic Name: (2S)-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-[5-methyl-6-oxidanylidene-3-[[4-(phenylcarbonyl)phenyl]methoxy]-7H-benzo[d][1]benzazepin-7-yl]propanamide Openeye Name: (2S)-N-[3-[(4-benzoylphenyl)methoxy]-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide CAS Name: (2S)-N-[3-[(4-benzoylphenyl)methoxy]-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-[3-[(4-benzoylphenyl)methoxy]-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide Traditional Name: (2S)-N-[3-(4-benzoylbenzyl)oxy-6-keto-5-methyl-7H-benzo[d][1]benzazepin-7-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propionamide Formula: C40H33F2N3O5 MolecularWeight: 673.703926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C2=CC=CC=C2C3=C(C=C(C=C3)OCC4=CC=C(C=C4)C(=O)C5=CC=CC=C5)N(C1=O)C)NC(=O)CC6=CC(=CC(=C6)F)F

Isomeric SMILES

C[C@@H](C(=O)NC1C2=CC=CC=C2C3=C(C=C(C=C3)OCC4=CC=C(C=C4)C(=O)C5=CC=CC=C5)N(C1=O)C)NC(=O)CC6=CC(=CC(=C6)F)F

InChI

InChI=1S/C40H33F2N3O5/c1-24(43-36(46)20-26-18-29(41)21-30(42)19-26)39(48)44-37-34-11-7-6-10-32(34)33-17-16-31(22-35(33)45(2)40(37)49)50-23-25-12-14-28(15-13-25)38(47)27-8-4-3-5-9-27/h3-19,21-22,24,37H,20,23H2,1-2H3,(H,43,46)(H,44,48)/t24-,37?/m0/s1