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

Systemtic Name: 1-chloranyl-8-ethoxy-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Openeye Name: 11-benzyl-1-chloro-8-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol CAS Name: 1-chloro-8-ethoxy-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol IUPAC Name: 11-benzyl-1-chloro-8-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Traditional Name: 11-benzyl-1-chloro-8-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O2/c1-3-29-17-11-15-10-16(9-14-7-5-4-6-8-14)26-19-21(23)24-13-25-22(19)27(2)20(15)18(28)12-17/h4-8,11-13,28H,3,9-10H2,1-2H3