N-(2-dimethylaminoethyl)-2,4-dimethyl-5-[(Z)-[6-[[3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonylamino]phenyl]carbamoylamino]-2-oxidanylidene-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-2,4-dimethyl-5-[(Z)-[6-[[3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonylamino]phenyl]carbamoylamino]-2-oxidanylidene-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-2,4-dimethyl-5-[(Z)-[6-[[3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]carbamoylamino]-2-oxo-indolin-3-ylidene]methyl]-1H-pyrrole-3-carboxamide CAS Name: N-(2-dimethylaminoethyl)-2,4-dimethyl-5-[(Z)-[6-[[[3-[[[3-(4-methyl-1-imidazolyl)-5-(trifluoromethyl)phenyl]-oxomethyl]amino]anilino]-oxomethyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide IUPAC Name: N-(2-dimethylaminoethyl)-2,4-dimethyl-5-[(Z)-[6-[[3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]carbamoylamino]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-5-[(Z)-[2-keto-6-[[3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]carbamoylamino]indolin-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide Formula: C39H38F3N9O4 MolecularWeight: 753.77213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)NC(=O)NC4=CC5=C(C=C4)C(=CC6=C(C(=C(N6)C)C(=O)NCCN(C)C)C)C(=O)N5

Isomeric SMILES

CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)NC(=O)NC4=CC5=C(C=C4)/C(=C/C6=C(C(=C(N6)C)C(=O)NCCN(C)C)C)/C(=O)N5

InChI

InChI=1S/C39H38F3N9O4/c1-21-19-51(20-44-21)29-14-24(13-25(15-29)39(40,41)42)35(52)46-26-7-6-8-27(16-26)47-38(55)48-28-9-10-30-31(36(53)49-33(30)17-28)18-32-22(2)34(23(3)45-32)37(54)43-11-12-50(4)5/h6-10,13-20,45H,11-12H2,1-5H3,(H,43,54)(H,46,52)(H,49,53)(H2,47,48,55)/b31-18-