6-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-pyridin-4-yl-quinolin-4-amine hydrochloride

Systemtic Name: 6-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-pyridin-4-yl-quinolin-4-amine hydrochloride Openeye Name: 6-chloro-N-[(3-chloro-4-methoxy-phenyl)methyl]-2-(4-pyridyl)quinolin-4-amine hydrochloride CAS Name: 6-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-pyridin-4-yl-4-quinolinamine hydrochloride IUPAC Name: 6-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinolin-4-amine hydrochloride Traditional Name: (3-chloro-4-methoxy-benzyl)-[6-chloro-2-(4-pyridyl)-4-quinolyl]amine hydrochloride Formula: C22H18Cl3N3O MolecularWeight: 446.75682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4)Cl.Cl

InChI

InChI=1S/C22H17Cl2N3O.ClH/c1-28-22-5-2-14(10-18(22)24)13-26-21-12-20(15-6-8-25-9-7-15)27-19-4-3-16(23)11-17(19)21;/h2-12H,13H2,1H3,(H,26,27);1H