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

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-5-[(cyclobutylmethylamino)methyl]-4-cyclopropyl-pyridin-2-amine; methanoic acid Openeye Name: N-(4-chloro-2-methyl-phenyl)-5-[(cyclobutylmethylamino)methyl]-4-cyclopropyl-pyridin-2-amine; formic acid CAS Name: N-(4-chloro-2-methylphenyl)-5-[(cyclobutylmethylamino)methyl]-4-cyclopropyl-2-pyridinamine; formic acid IUPAC Name: N-(4-chloro-2-methylphenyl)-5-[(cyclobutylmethylamino)methyl]-4-cyclopropylpyridin-2-amine; formic acid Traditional Name: [6-(4-chloro-2-methyl-anilino)-4-cyclopropyl-3-pyridyl]methyl-(cyclobutylmethyl)amine; formic acid Formula: C22H28ClN3O2 MolecularWeight: 401.92962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2=NC=C(C(=C2)C3CC3)CNCC4CCC4.C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=NC=C(C(=C2)C3CC3)CNCC4CCC4.C(=O)O

InChI

InChI=1S/C21H26ClN3.CH2O2/c1-14-9-18(22)7-8-20(14)25-21-10-19(16-5-6-16)17(13-24-21)12-23-11-15-3-2-4-15;2-1-3/h7-10,13,15-16,23H,2-6,11-12H2,1H3,(H,24,25);1H,(H,2,3)