1-chloranyl-8-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 1-chloranyl-8-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-8-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-8-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-8-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-8-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C21H19ClN4O3 MolecularWeight: 410.85356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C1)C3=CC=CC=C3O)N(C4=C(C(=NC=N4)Cl)NC(=O)C2)C

Isomeric SMILES

CCOC1=CC2=C(C(=C1)C3=CC=CC=C3O)N(C4=C(C(=NC=N4)Cl)NC(=O)C2)C

InChI

InChI=1S/C21H19ClN4O3/c1-3-29-13-8-12-9-17(28)25-18-20(22)23-11-24-21(18)26(2)19(12)15(10-13)14-6-4-5-7-16(14)27/h4-8,10-11,27H,3,9H2,1-2H3,(H,25,28)