N-(7-chloranylpyrido[3,4-b]indol-9-yl)-3-methyl-butanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-(7-chloranylpyrido[3,4-b]indol-9-yl)-3-methyl-butanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-(7-chloropyrido[3,4-b]indol-9-yl)-3-methyl-butanamide; 2,2,2-trifluoroacetic acid CAS Name: N-(7-chloro-9-pyrido[3,4-b]indolyl)-3-methylbutanamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-(7-chloropyrido[3,4-b]indol-9-yl)-3-methylbutanamide; 2,2,2-trifluoroacetic acid Traditional Name: N-(7-chloro-$b-carbolin-9-yl)-3-methyl-butyramide; 2,2,2-trifluoroacetic acid Formula: C18H17ClF3N3O3 MolecularWeight: 415.79409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NN1C2=C(C=CC(=C2)Cl)C3=C1C=NC=C3.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)CC(=O)NN1C2=C(C=CC(=C2)Cl)C3=C1C=NC=C3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H16ClN3O.C2HF3O2/c1-10(2)7-16(21)19-20-14-8-11(17)3-4-12(14)13-5-6-18-9-15(13)20;3-2(4,5)1(6)7/h3-6,8-10H,7H2,1-2H3,(H,19,21);(H,6,7)