N1-(1-azabicyclo[2.2.2]octan-3-yl)-6,6-bis(fluoranyl)-2-(2-methylidene-4,5-dihydro-3H-1-benzazepin-1-yl)-5-(oxidanylidenemethylidene)-N3,4-diphenyl-cyclohexa-1,3-diene-1,3-dicarboxamide hydrochloride

Systemtic Name: N1-(1-azabicyclo[2.2.2]octan-3-yl)-6,6-bis(fluoranyl)-2-(2-methylidene-4,5-dihydro-3H-1-benzazepin-1-yl)-5-(oxidanylidenemethylidene)-N3,4-diphenyl-cyclohexa-1,3-diene-1,3-dicarboxamide hydrochloride Openeye Name: 6,6-difluoro-2-(2-methylene-4,5-dihydro-3H-1-benzazepin-1-yl)-5-(oxomethylene)-N3,4-diphenyl-N1-quinuclidin-3-yl-cyclohexa-1,3-diene-1,3-dicarboxamide hydrochloride CAS Name: N1-(1-azabicyclo[2.2.2]octan-3-yl)-6,6-difluoro-2-(2-methylene-4,5-dihydro-3H-1-benzazepin-1-yl)-5-(oxomethylidene)-N3,4-diphenylcyclohexa-1,3-diene-1,3-dicarboxamide hydrochloride IUPAC Name: 1-N-(1-azabicyclo[2.2.2]octan-3-yl)-6,6-difluoro-2-(2-methylidene-4,5-dihydro-3H-1-benzazepin-1-yl)-5-(oxomethylidene)-3-N,4-diphenylcyclohexa-1,3-diene-1,3-dicarboxamide hydrochloride Traditional Name: 6,6-difluoro-5-(ketomethylene)-2-(2-methylene-4,5-dihydro-3H-1-benzazepin-1-yl)-N',4-diphenyl-N-quinuclidin-3-yl-cyclohexa-1,3-diene-1,3-dicarboxamide hydrochloride Formula: C39H37ClF2N4O3 MolecularWeight: 683.185886

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CCCC2=CC=CC=C2N1C3=C(C(C(=C=O)C(=C3C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)(F)F)C(=O)NC6CN7CCC6CC7.Cl

Isomeric SMILES

C=C1CCCC2=CC=CC=C2N1C3=C(C(C(=C=O)C(=C3C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)(F)F)C(=O)NC6CN7CCC6CC7.Cl

InChI

InChI=1S/C39H36F2N4O3.ClH/c1-25-11-10-15-27-12-8-9-18-32(27)45(25)36-34(37(47)42-29-16-6-3-7-17-29)33(28-13-4-2-5-14-28)30(24-46)39(40,41)35(36)38(48)43-31-23-44-21-19-26(31)20-22-44;/h2-9,12-14,16-18,26,31H,1,10-11,15,19-23H2,(H,42,47)(H,43,48);1H