N-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-3-ylmethylcarbamoylamino)ethanamide dihydrochloride

Systemtic Name: N-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-3-ylmethylcarbamoylamino)ethanamide dihydrochloride Openeye Name: N-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]-N-methyl-2-(3-pyridylmethylcarbamoylamino)acetamide dihydrochloride CAS Name: N-[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]-N-methyl-2-[[oxo-(3-pyridinylmethylamino)methyl]amino]acetamide dihydrochloride IUPAC Name: N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-3-ylmethylcarbamoylamino)acetamide dihydrochloride Traditional Name: N-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]-N-methyl-2-(3-pyridylmethylcarbamoylamino)acetamide dihydrochloride Formula: C27H27Cl4N5O3 MolecularWeight: 611.34698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NCC4=CN=CC=C4)Cl)C=C1.Cl.Cl

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NCC4=CN=CC=C4)Cl)C=C1.Cl.Cl

InChI

InChI=1S/C27H25Cl2N5O3.2ClH/c1-17-8-9-19-6-3-7-23(26(19)33-17)37-16-20-21(28)10-11-22(25(20)29)34(2)24(35)15-32-27(36)31-14-18-5-4-12-30-13-18;;/h3-13H,14-16H2,1-2H3,(H2,31,32,36);2*1H