4-[(E)-3-[[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide

Systemtic Name: 4-[(E)-3-[[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide Openeye Name: N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-oxo-ethyl]amino]-3-oxo-prop-1-enyl]benzamide CAS Name: 4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolinyl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]benzamide IUPAC Name: 4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]benzamide Traditional Name: N-[1-benzyl-2-keto-2-(methylamino)ethyl]-4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-keto-ethyl]amino]-3-keto-prop-1-enyl]benzamide Formula: C40H37Cl2N5O5 MolecularWeight: 738.65828

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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)C=CC4=CC=C(C=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)NC)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CC=C(C=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)NC)Cl)C=C1

InChI

InChI=1S/C40H37Cl2N5O5/c1-25-12-16-28-10-7-11-34(38(28)45-25)52-24-30-31(41)19-20-33(37(30)42)47(3)36(49)23-44-35(48)21-15-26-13-17-29(18-14-26)39(50)46-32(40(51)43-2)22-27-8-5-4-6-9-27/h4-21,32H,22-24H2,1-3H3,(H,43,51)(H,44,48)(H,46,50)/b21-15+