4-[(5E)-4,4-bis(fluoranyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethylidene]-2,3-dihydro-1-benzazepin-1-yl]-2-(3-methylphenyl)-3-(oxidanylidenemethylidene)-N-phenyl-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: 4-[(5E)-4,4-bis(fluoranyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethylidene]-2,3-dihydro-1-benzazepin-1-yl]-2-(3-methylphenyl)-3-(oxidanylidenemethylidene)-N-phenyl-cyclohexa-1,5-diene-1-carboxamide Openeye Name: 4-[(5E)-4,4-difluoro-5-[2-(4-methylpiperazin-1-yl)-2-oxo-ethylidene]-2,3-dihydro-1-benzazepin-1-yl]-2-(m-tolyl)-3-(oxomethylene)-N-phenyl-cyclohexa-1,5-diene-1-carboxamide CAS Name: 4-[(5E)-4,4-difluoro-5-[2-(4-methyl-1-piperazinyl)-2-oxoethylidene]-2,3-dihydro-1-benzazepin-1-yl]-2-(3-methylphenyl)-3-(oxomethylidene)-N-phenyl-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: 4-[(5E)-4,4-difluoro-5-[2-(4-methylpiperazin-1-yl)-2-oxoethylidene]-2,3-dihydro-1-benzazepin-1-yl]-2-(3-methylphenyl)-3-(oxomethylidene)-N-phenylcyclohexa-1,5-diene-1-carboxamide Traditional Name: 4-[(5E)-4,4-difluoro-5-[2-keto-2-(4-methylpiperazino)ethylidene]-2,3-dihydro-1-benzazepin-1-yl]-3-(ketomethylene)-2-(m-tolyl)-N-phenyl-cyclohexa-1,5-diene-1-carboxamide Formula: C38H36F2N4O3 MolecularWeight: 634.714246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C=CC(C2=C=O)N3CCC(C(=CC(=O)N4CCN(CC4)C)C5=CC=CC=C53)(F)F)C(=O)NC6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C=CC(C2=C=O)N3CCC(/C(=C/C(=O)N4CCN(CC4)C)/C5=CC=CC=C53)(F)F)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C38H36F2N4O3/c1-26-9-8-10-27(23-26)36-30(37(47)41-28-11-4-3-5-12-28)15-16-34(31(36)25-45)44-18-17-38(39,40)32(29-13-6-7-14-33(29)44)24-35(46)43-21-19-42(2)20-22-43/h3-16,23-24,34H,17-22H2,1-2H3,(H,41,47)/b32-24+