1-ethyl-7-(2-fluorophenyl)-9-iodanyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one

Systemtic Name: 1-ethyl-7-(2-fluorophenyl)-9-iodanyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Openeye Name: 1-ethyl-7-(2-fluorophenyl)-9-iodo-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one CAS Name: 1-ethyl-7-(2-fluorophenyl)-9-iodo-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one IUPAC Name: 1-ethyl-7-(2-fluorophenyl)-9-iodo-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Traditional Name: 1-ethyl-7-(2-fluorophenyl)-9-iodo-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Formula: C20H15FIN3O MolecularWeight: 459.255473

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C2N1C3=C(C=C(C=C3)I)C(=NC2)C4=CC=CC=C4F

Isomeric SMILES

CCC1=CC(=O)N=C2N1C3=C(C=C(C=C3)I)C(=NC2)C4=CC=CC=C4F

InChI

InChI=1S/C20H15FIN3O/c1-2-13-10-19(26)24-18-11-23-20(14-5-3-4-6-16(14)21)15-9-12(22)7-8-17(15)25(13)18/h3-10H,2,11H2,1H3