1-chloranyl-8-ethoxy-6-fluoranyl-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 1-chloranyl-8-ethoxy-6-fluoranyl-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 11-benzyl-1-chloro-8-ethoxy-6-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8-ethoxy-6-fluoro-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 11-benzyl-1-chloro-8-ethoxy-6-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 11-benzyl-1-chloro-8-ethoxy-6-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C22H20ClFN4O MolecularWeight: 410.871803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)CC4=CC=CC=C4)F

Isomeric SMILES

CCOC1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)CC4=CC=CC=C4)F

InChI

InChI=1S/C22H20ClFN4O/c1-3-29-17-11-15-10-16(9-14-7-5-4-6-8-14)27-19-21(23)25-13-26-22(19)28(2)20(15)18(24)12-17/h4-8,11-13H,3,9-10H2,1-2H3