3-azanyl-9-chloranyl-7-(2-fluorophenyl)-4,5-dihydropyrimido[4,5-d][2]benzazepin-1-one

Systemtic Name: 3-azanyl-9-chloranyl-7-(2-fluorophenyl)-4,5-dihydropyrimido[4,5-d][2]benzazepin-1-one Openeye Name: 3-amino-9-chloro-7-(2-fluorophenyl)-4,5-dihydropyrimido[4,5-d][2]benzazepin-1-one CAS Name: 3-amino-9-chloro-7-(2-fluorophenyl)-4,5-dihydropyrimido[4,5-d][2]benzazepin-1-one IUPAC Name: 3-amino-9-chloro-7-(2-fluorophenyl)-4,5-dihydropyrimido[4,5-d][2]benzazepin-1-one Traditional Name: 3-amino-9-chloro-7-(2-fluorophenyl)-4,5-dihydropyrimido[4,5-d][2]benzazepin-1-one Formula: C18H12ClFN4O MolecularWeight: 354.765483

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F)C(=O)N=C(N2)N

Isomeric SMILES

C1C2=C(C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F)C(=O)N=C(N2)N

InChI

InChI=1S/C18H12ClFN4O/c19-9-5-6-10-12(7-9)16(11-3-1-2-4-13(11)20)22-8-14-15(10)17(25)24-18(21)23-14/h1-7H,8H2,(H3,21,23,24,25)