8-azanyl-3-[[2-azanyl-4-(trifluoromethyl)phenyl]amino]-6H-benzo[c][1]benzoxepin-11-one

Systemtic Name: 8-azanyl-3-[[2-azanyl-4-(trifluoromethyl)phenyl]amino]-6H-benzo[c][1]benzoxepin-11-one Openeye Name: 8-amino-3-[2-amino-4-(trifluoromethyl)anilino]-6H-benzo[c][1]benzoxepin-11-one CAS Name: 8-amino-3-[2-amino-4-(trifluoromethyl)anilino]-6H-benzo[c][1]benzoxepin-11-one IUPAC Name: 8-amino-3-[2-amino-4-(trifluoromethyl)anilino]-6H-benzo[c][1]benzoxepin-11-one Traditional Name: 8-amino-3-[2-amino-4-(trifluoromethyl)anilino]-6H-benzo[c][1]benzoxepin-11-one Formula: C21H16F3N3O2 MolecularWeight: 399.36585

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)N)C(=O)C3=C(O1)C=C(C=C3)NC4=C(C=C(C=C4)C(F)(F)F)N

Isomeric SMILES

C1C2=C(C=CC(=C2)N)C(=O)C3=C(O1)C=C(C=C3)NC4=C(C=C(C=C4)C(F)(F)F)N

InChI

InChI=1S/C21H16F3N3O2/c22-21(23,24)12-1-6-18(17(26)8-12)27-14-3-5-16-19(9-14)29-10-11-7-13(25)2-4-15(11)20(16)28/h1-9,27H,10,25-26H2