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

Systemtic Name: 4-[(E)-3-[[2-[[2,4-bis(chloranyl)-3-[[4-(dimethylamino)-2-methyl-quinolin-8-yl]oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]-N-pyridin-4-yl-benzamide Openeye Name: 4-[(E)-3-[[2-[2,4-dichloro-3-[[4-(dimethylamino)-2-methyl-8-quinolyl]oxymethyl]-N-methyl-anilino]-2-oxo-ethyl]amino]-3-oxo-prop-1-enyl]-N-(4-pyridyl)benzamide CAS Name: 4-[(E)-3-[[2-[2,4-dichloro-3-[[4-(dimethylamino)-2-methyl-8-quinolinyl]oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-pyridin-4-ylbenzamide IUPAC Name: 4-[(E)-3-[[2-[2,4-dichloro-3-[[4-(dimethylamino)-2-methylquinolin-8-yl]oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-pyridin-4-ylbenzamide Traditional Name: 4-[(E)-3-[[2-[2,4-dichloro-3-[[4-(dimethylamino)-2-methyl-8-quinolyl]oxymethyl]-N-methyl-anilino]-2-keto-ethyl]amino]-3-keto-prop-1-enyl]-N-(4-pyridyl)benzamide Formula: C37H34Cl2N6O4 MolecularWeight: 697.60966

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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)NC5=CC=NC=C5)Cl)C(=C1)N(C)C

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)NC5=CC=NC=C5)Cl)C(=C1)N(C)C

InChI

InChI=1S/C37H34Cl2N6O4/c1-23-20-31(44(2)3)27-6-5-7-32(36(27)42-23)49-22-28-29(38)13-14-30(35(28)39)45(4)34(47)21-41-33(46)15-10-24-8-11-25(12-9-24)37(48)43-26-16-18-40-19-17-26/h5-20H,21-22H2,1-4H3,(H,41,46)(H,40,43,48)/b15-10+