N-(3-chloranyl-4-fluoranyl-phenyl)-5-[(cyclobutylmethylamino)methyl]-4-cyclopropyl-pyridin-2-amine; methanoic acid

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-5-[(cyclobutylmethylamino)methyl]-4-cyclopropyl-pyridin-2-amine; methanoic acid Openeye Name: N-(3-chloro-4-fluoro-phenyl)-5-[(cyclobutylmethylamino)methyl]-4-cyclopropyl-pyridin-2-amine; formic acid CAS Name: N-(3-chloro-4-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-cyclopropyl-2-pyridinamine; formic acid IUPAC Name: N-(3-chloro-4-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-cyclopropylpyridin-2-amine; formic acid Traditional Name: [6-(3-chloro-4-fluoro-anilino)-4-cyclopropyl-3-pyridyl]methyl-(cyclobutylmethyl)amine; formic acid Formula: C43H52Cl2F2N6O6 MolecularWeight: 857.812386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CNCC2=CN=C(C=C2C3CC3)NC4=CC(=C(C=C4)F)Cl.C1CC(C1)CNCC2=CN=C(C=C2C3CC3)NC4=CC(=C(C=C4)F)Cl.C(=O)O.C(=O)O.C(=O)O

Isomeric SMILES

C1CC(C1)CNCC2=CN=C(C=C2C3CC3)NC4=CC(=C(C=C4)F)Cl.C1CC(C1)CNCC2=CN=C(C=C2C3CC3)NC4=CC(=C(C=C4)F)Cl.C(=O)O.C(=O)O.C(=O)O

InChI

InChI=1S/2C20H23ClFN3.3CH2O2/c2*21-18-8-16(6-7-19(18)22)25-20-9-17(14-4-5-14)15(12-24-20)11-23-10-13-2-1-3-13;3*2-1-3/h2*6-9,12-14,23H,1-5,10-11H2,(H,24,25);3*1H,(H,2,3)