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

Systemtic Name: 1-chloranyl-6-ethoxy-8-(2-hydroxyphenyl)-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-6-ethoxy-8-(2-hydroxyphenyl)-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-6-ethoxy-8-(2-hydroxyphenyl)-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-6-ethoxy-8-(2-hydroxyphenyl)-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-6-ethoxy-8-(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=CC(=CC2=C1N(C3=C(C(=NC=N3)Cl)NC(=O)C2)C)C4=CC=CC=C4O

Isomeric SMILES

CCOC1=CC(=CC2=C1N(C3=C(C(=NC=N3)Cl)NC(=O)C2)C)C4=CC=CC=C4O

InChI

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