N-[(2S)-1-azanyl-1-oxidanylidene-4-pyrrol-1-yl-butan-2-yl]-3-methyl-2-pyridin-4-yl-1H-indole-5-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-4-pyrrol-1-yl-butan-2-yl]-3-methyl-2-pyridin-4-yl-1H-indole-5-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[(1S)-1-carbamoyl-3-pyrrol-1-yl-propyl]-3-methyl-2-(4-pyridyl)-1H-indole-5-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: N-[(2S)-1-amino-1-oxo-4-(1-pyrrolyl)butan-2-yl]-3-methyl-2-pyridin-4-yl-1H-indole-5-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[(2S)-1-amino-1-oxo-4-pyrrol-1-ylbutan-2-yl]-3-methyl-2-pyridin-4-yl-1H-indole-5-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[(1S)-1-carbamoyl-3-pyrrol-1-yl-propyl]-3-methyl-2-(4-pyridyl)-1H-indole-5-carboxamide; 2,2,2-trifluoroacetic acid Formula: C25H24F3N5O4 MolecularWeight: 515.48437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)NC(CCN3C=CC=C3)C(=O)N)C4=CC=NC=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N[C@@H](CCN3C=CC=C3)C(=O)N)C4=CC=NC=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C23H23N5O2.C2HF3O2/c1-15-18-14-17(4-5-19(18)26-21(15)16-6-9-25-10-7-16)23(30)27-20(22(24)29)8-13-28-11-2-3-12-28;3-2(4,5)1(6)7/h2-7,9-12,14,20,26H,8,13H2,1H3,(H2,24,29)(H,27,30);(H,6,7)/t20-;/m0./s1