1-chloranyl-6,8-diethoxy-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 1-chloranyl-6,8-diethoxy-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 11-benzyl-1-chloro-6,8-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-6,8-diethoxy-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 11-benzyl-1-chloro-6,8-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 11-benzyl-1-chloro-6,8-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C24H25ClN4O2 MolecularWeight: 436.9339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O2/c1-4-30-19-13-17-12-18(11-16-9-7-6-8-10-16)28-21-23(25)26-15-27-24(21)29(3)22(17)20(14-19)31-5-2/h6-10,13-15H,4-5,11-12H2,1-3H3