N-[(6aS,8S)-6,12-bis(oxidanylidene)-2-[3-(trifluoromethyl)phenyl]-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylamino)ethanamide

Systemtic Name: N-[(6aS,8S)-6,12-bis(oxidanylidene)-2-[3-(trifluoromethyl)phenyl]-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylamino)ethanamide Openeye Name: N-[(6aS,8S)-6,12-dioxo-2-[3-(trifluoromethyl)phenyl]-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylamino)acetamide CAS Name: N-[(6aS,8S)-6,12-dioxo-2-[3-(trifluoromethyl)phenyl]-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylamino)acetamide IUPAC Name: N-[(6aS,8S)-6,12-dioxo-2-[3-(trifluoromethyl)phenyl]-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylamino)acetamide Traditional Name: N-[(6aS,8S)-6,12-diketo-2-[3-(trifluoromethyl)phenyl]-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylamino)acetamide Formula: C23H23F3N4O3 MolecularWeight: 460.44893

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)NC1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CNCC(=O)N[C@H]1CCN2[C@@H](C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H23F3N4O3/c1-27-12-20(31)28-16-7-8-30-19(11-16)21(32)29-18-6-5-14(10-17(18)22(30)33)13-3-2-4-15(9-13)23(24,25)26/h2-6,9-10,16,19,27H,7-8,11-12H2,1H3,(H,28,31)(H,29,32)/t16-,19-/m0/s1