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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-yl-pyridin-2-amine; methanoic acid Openeye Name: N-(3-chloro-4-fluoro-phenyl)-5-[(cyclobutylmethylamino)methyl]-4-isopropyl-pyridin-2-amine; formic acid CAS Name: N-(3-chloro-4-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-yl-2-pyridinamine; formic acid IUPAC Name: N-(3-chloro-4-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine; formic acid Traditional Name: [6-(3-chloro-4-fluoro-anilino)-4-isopropyl-3-pyridyl]methyl-(cyclobutylmethyl)amine; formic acid Formula: C64H83Cl3F3N9O8 MolecularWeight: 1269.75353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC=C1CNCC2CCC2)NC3=CC(=C(C=C3)F)Cl.CC(C)C1=CC(=NC=C1CNCC2CCC2)NC3=CC(=C(C=C3)F)Cl.CC(C)C1=CC(=NC=C1CNCC2CCC2)NC3=CC(=C(C=C3)F)Cl.C(=O)O.C(=O)O.C(=O)O.C(=O)O

Isomeric SMILES

CC(C)C1=CC(=NC=C1CNCC2CCC2)NC3=CC(=C(C=C3)F)Cl.CC(C)C1=CC(=NC=C1CNCC2CCC2)NC3=CC(=C(C=C3)F)Cl.CC(C)C1=CC(=NC=C1CNCC2CCC2)NC3=CC(=C(C=C3)F)Cl.C(=O)O.C(=O)O.C(=O)O.C(=O)O

InChI

InChI=1S/3C20H25ClFN3.4CH2O2/c3*1-13(2)17-9-20(25-16-6-7-19(22)18(21)8-16)24-12-15(17)11-23-10-14-4-3-5-14;4*2-1-3/h3*6-9,12-14,23H,3-5,10-11H2,1-2H3,(H,24,25);4*1H,(H,2,3)