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

Systemtic Name: 1-chloranyl-11-ethoxy-5-methyl-8-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Openeye Name: 8-benzyl-1-chloro-11-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol CAS Name: 1-chloro-11-ethoxy-5-methyl-8-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol IUPAC Name: 8-benzyl-1-chloro-11-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Traditional Name: 8-benzyl-1-chloro-11-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=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)CC4=CC=CC=C4)O)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)CC4=CC=CC=C4)O)C

InChI

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