3-[[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]carbamoylamino]-N-(2-dimethylaminoethyl)-N-methyl-benzamide dihydrochloride

Systemtic Name: 3-[[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]carbamoylamino]-N-(2-dimethylaminoethyl)-N-methyl-benzamide dihydrochloride Openeye Name: 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-oxo-ethyl]carbamoylamino]-N-(2-dimethylaminoethyl)-N-methyl-benzamide dihydrochloride CAS Name: 3-[[[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolinyl)oxymethyl]anilino]-2-oxoethyl]amino]-oxomethyl]amino]-N-(2-dimethylaminoethyl)-N-methylbenzamide dihydrochloride IUPAC Name: 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-(2-dimethylaminoethyl)-N-methylbenzamide dihydrochloride Traditional Name: 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-keto-ethyl]carbamoylamino]-N-(2-dimethylaminoethyl)-N-methyl-benzamide dihydrochloride Formula: C33H38Cl4N6O4 MolecularWeight: 724.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NC4=CC=CC(=C4)C(=O)N(C)CCN(C)C)Cl)C=C1.Cl.Cl

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NC4=CC=CC(=C4)C(=O)N(C)CCN(C)C)Cl)C=C1.Cl.Cl

InChI

InChI=1S/C33H36Cl2N6O4.2ClH/c1-21-12-13-22-8-7-11-28(31(22)37-21)45-20-25-26(34)14-15-27(30(25)35)41(5)29(42)19-36-33(44)38-24-10-6-9-23(18-24)32(43)40(4)17-16-39(2)3;;/h6-15,18H,16-17,19-20H2,1-5H3,(H2,36,38,44);2*1H