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

Systemtic Name: 1-chloranyl-6-ethoxy-5-methyl-8-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 8-benzyl-1-chloro-6-ethoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-6-ethoxy-5-methyl-8-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 8-benzyl-1-chloro-6-ethoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 8-benzyl-1-chloro-6-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=C2C(=CC(=C1)CC3=CC=CC=C3)CC(=O)NC4=C(N2C)N=CN=C4Cl

Isomeric SMILES

CCOC1=C2C(=CC(=C1)CC3=CC=CC=C3)CC(=O)NC4=C(N2C)N=CN=C4Cl

InChI

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