4-[(2Z)-2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxidanylidene-ethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-2-(2-methylphenyl)-3-(oxidanylidenemethylidene)-N-phenyl-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: 4-[(2Z)-2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxidanylidene-ethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-2-(2-methylphenyl)-3-(oxidanylidenemethylidene)-N-phenyl-cyclohexa-1,5-diene-1-carboxamide Openeye Name: 4-[(2Z)-2-[2-[4-(dimethylamino)-1-piperidyl]-2-oxo-ethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-2-(o-tolyl)-3-(oxomethylene)-N-phenyl-cyclohexa-1,5-diene-1-carboxamide CAS Name: 4-[(2Z)-2-[2-[4-(dimethylamino)-1-piperidinyl]-2-oxoethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-2-(2-methylphenyl)-3-(oxomethylidene)-N-phenyl-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: 4-[(2Z)-2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-2-(2-methylphenyl)-3-(oxomethylidene)-N-phenylcyclohexa-1,5-diene-1-carboxamide Traditional Name: 4-[(2Z)-2-[2-[4-(dimethylamino)piperidino]-2-keto-ethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-3-(ketomethylene)-2-(o-tolyl)-N-phenyl-cyclohexa-1,5-diene-1-carboxamide Formula: C40H42N4O3 MolecularWeight: 626.78648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(C2=C=O)N3C(=CC(=O)N4CCC(CC4)N(C)C)CCCC5=CC=CC=C53)C(=O)NC6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(C2=C=O)N3/C(=C\C(=O)N4CCC(CC4)N(C)C)/CCCC5=CC=CC=C53)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C40H42N4O3/c1-28-12-7-9-18-33(28)39-34(40(47)41-30-15-5-4-6-16-30)20-21-37(35(39)27-45)44-32(17-11-14-29-13-8-10-19-36(29)44)26-38(46)43-24-22-31(23-25-43)42(2)3/h4-10,12-13,15-16,18-21,26,31,37H,11,14,17,22-25H2,1-3H3,(H,41,47)/b32-26-