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

Systemtic Name: 8-bromanyl-1-chloranyl-6-ethoxy-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 11-benzyl-8-bromo-1-chloro-6-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 8-bromo-1-chloro-6-ethoxy-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 11-benzyl-8-bromo-1-chloro-6-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 11-benzyl-8-bromo-1-chloro-6-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C22H20BrClN4O MolecularWeight: 471.7774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrClN4O/c1-3-29-18-12-16(23)10-15-11-17(9-14-7-5-4-6-8-14)27-19-21(24)25-13-26-22(19)28(2)20(15)18/h4-8,10,12-13H,3,9,11H2,1-2H3