N-[3-[2-[(3R,4S)-4-(4-methoxyphenyl)-3-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethylamino]propyl]benzamide

Systemtic Name: N-[3-[2-[(3R,4S)-4-(4-methoxyphenyl)-3-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethylamino]propyl]benzamide Openeye Name: N-[3-[2-[(3R,4S)-3-hydroxy-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethylamino]propyl]benzamide CAS Name: N-[3-[2-[(3R,4S)-3-hydroxy-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethylamino]propyl]benzamide IUPAC Name: N-[3-[2-[(3R,4S)-3-hydroxy-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethylamino]propyl]benzamide Traditional Name: N-[3-[2-[(3R,4S)-3-hydroxy-2-keto-4-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethylamino]propyl]benzamide Formula: C30H32F3N3O4 MolecularWeight: 555.58799

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=C(C=CC=C3N(C(=O)C2O)CCNCCCNC(=O)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CC3=C(C=CC=C3N(C(=O)[C@@H]2O)CCNCCCNC(=O)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C30H32F3N3O4/c1-40-22-13-11-20(12-14-22)23-19-24-25(30(31,32)33)9-5-10-26(24)36(29(39)27(23)37)18-17-34-15-6-16-35-28(38)21-7-3-2-4-8-21/h2-5,7-14,23,27,34,37H,6,15-19H2,1H3,(H,35,38)/t23-,27+/m0/s1