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

Systemtic Name: 1-chloranyl-5-methyl-6-oxidanyl-8-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 8-benzyl-1-chloro-6-hydroxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-6-hydroxy-5-methyl-8-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 8-benzyl-1-chloro-6-hydroxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 8-benzyl-1-chloro-6-hydroxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C20H17ClN4O2 MolecularWeight: 380.82758

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=O)NC3=C1N=CN=C3Cl)CC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=O)NC3=C1N=CN=C3Cl)CC4=CC=CC=C4)O

InChI

InChI=1S/C20H17ClN4O2/c1-25-18-14(10-16(27)24-17-19(21)22-11-23-20(17)25)8-13(9-15(18)26)7-12-5-3-2-4-6-12/h2-6,8-9,11,26H,7,10H2,1H3,(H,24,27)