4-[(E)-3-[[2-[[2,4-bis(chloranyl)-3-[(2-methyl-4-morpholin-4-yl-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-[(2-methyl-4-morpholin-4-yl-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-N-methyl-3-[(2-methyl-4-morpholino-8-quinolyl)oxymethyl]anilino]-2-oxo-ethyl]amino]-3-oxo-prop-1-enyl]-N-(4-pyridyl)benzamide CAS Name: 4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-(4-morpholinyl)-8-quinolinyl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-pyridin-4-ylbenzamide IUPAC Name: 4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-4-morpholin-4-ylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-pyridin-4-ylbenzamide Traditional Name: 4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-4-morpholino-8-quinolyl)oxymethyl]anilino]-2-keto-ethyl]amino]-3-keto-prop-1-enyl]-N-(4-pyridyl)benzamide Formula: C39H36Cl2N6O5 MolecularWeight: 739.64634

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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)N6CCOCC6

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)N6CCOCC6

InChI

InChI=1S/C39H36Cl2N6O5/c1-25-22-33(47-18-20-51-21-19-47)29-4-3-5-34(38(29)44-25)52-24-30-31(40)11-12-32(37(30)41)46(2)36(49)23-43-35(48)13-8-26-6-9-27(10-7-26)39(50)45-28-14-16-42-17-15-28/h3-17,22H,18-21,23-24H2,1-2H3,(H,43,48)(H,42,45,50)/b13-8+