3-[[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]carbamoylamino]-N-pyrimidin-5-yl-benzamide

Systemtic Name: 3-[[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]carbamoylamino]-N-pyrimidin-5-yl-benzamide Openeye Name: 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-oxo-ethyl]carbamoylamino]-N-pyrimidin-5-yl-benzamide CAS Name: 3-[[[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolinyl)oxymethyl]anilino]-2-oxoethyl]amino]-oxomethyl]amino]-N-(5-pyrimidinyl)benzamide IUPAC Name: 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-pyrimidin-5-ylbenzamide Traditional Name: 3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-keto-ethyl]carbamoylamino]-N-(5-pyrimidyl)benzamide Formula: C32H27Cl2N7O4 MolecularWeight: 644.50728

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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)NC4=CC=CC(=C4)C(=O)NC5=CN=CN=C5)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NC4=CC=CC(=C4)C(=O)NC5=CN=CN=C5)Cl)C=C1

InChI

InChI=1S/C32H27Cl2N7O4/c1-19-9-10-20-5-4-8-27(30(20)38-19)45-17-24-25(33)11-12-26(29(24)34)41(2)28(42)16-37-32(44)40-22-7-3-6-21(13-22)31(43)39-23-14-35-18-36-15-23/h3-15,18H,16-17H2,1-2H3,(H,39,43)(H2,37,40,44)