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

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-yl-pyridin-2-amine; methanoic acid Openeye Name: N-(4-chloro-2-methyl-phenyl)-5-[(cyclobutylmethylamino)methyl]-4-isopropyl-pyridin-2-amine; formic acid CAS Name: N-(4-chloro-2-methylphenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-yl-2-pyridinamine; formic acid IUPAC Name: N-(4-chloro-2-methylphenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine; formic acid Traditional Name: [6-(4-chloro-2-methyl-anilino)-4-isopropyl-3-pyridyl]methyl-(cyclobutylmethyl)amine; formic acid Formula: C67H92Cl3N9O8 MolecularWeight: 1257.86188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2=NC=C(C(=C2)C(C)C)CNCC3CCC3.CC1=C(C=CC(=C1)Cl)NC2=NC=C(C(=C2)C(C)C)CNCC3CCC3.CC1=C(C=CC(=C1)Cl)NC2=NC=C(C(=C2)C(C)C)CNCC3CCC3.C(=O)O.C(=O)O.C(=O)O.C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=NC=C(C(=C2)C(C)C)CNCC3CCC3.CC1=C(C=CC(=C1)Cl)NC2=NC=C(C(=C2)C(C)C)CNCC3CCC3.CC1=C(C=CC(=C1)Cl)NC2=NC=C(C(=C2)C(C)C)CNCC3CCC3.C(=O)O.C(=O)O.C(=O)O.C(=O)O

InChI

InChI=1S/3C21H28ClN3.4CH2O2/c3*1-14(2)19-10-21(25-20-8-7-18(22)9-15(20)3)24-13-17(19)12-23-11-16-5-4-6-16;4*2-1-3/h3*7-10,13-14,16,23H,4-6,11-12H2,1-3H3,(H,24,25);4*1H,(H,2,3)