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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=NC=C(C(=C2)C3CC3)CNCC4CCC4.C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=NC=C(C(=C2)C3CC3)CNCC4CCC4.C(=O)O

InChI

InChI=1S/C21H26ClN3.CH2O2/c1-14-19(22)6-3-7-20(14)25-21-10-18(16-8-9-16)17(13-24-21)12-23-11-15-4-2-5-15;2-1-3/h3,6-7,10,13,15-16,23H,2,4-5,8-9,11-12H2,1H3,(H,24,25);1H,(H,2,3)