(2S)-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]-4-methyl-2-(methylamino)pentanamide

Systemtic Name: (2S)-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]-4-methyl-2-(methylamino)pentanamide Openeye Name: (2S)-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]-4-methyl-2-(methylamino)pentanamide CAS Name: (2S)-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]-4-methyl-2-(methylamino)pentanamide IUPAC Name: (2S)-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]-4-methyl-2-(methylamino)pentanamide Traditional Name: (2S)-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]-4-methyl-2-(methylamino)valeramide Formula: C27H31F3N4O3 MolecularWeight: 516.55525

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=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)NC

InChI

InChI=1S/C27H31F3N4O3/c1-15(2)11-22(31-3)24(35)32-19-9-10-34-23(14-19)25(36)33-21-8-7-17(13-20(21)26(34)37)16-5-4-6-18(12-16)27(28,29)30/h4-8,12-13,15,19,22-23,31H,9-11,14H2,1-3H3,(H,32,35)(H,33,36)/t19-,22-,23-/m0/s1