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

Systemtic Name: 1-chloranyl-8-ethoxy-5-methyl-6-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 6-benzyl-1-chloro-8-ethoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-8-ethoxy-5-methyl-6-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 6-benzyl-1-chloro-8-ethoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 6-benzyl-1-chloro-8-ethoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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