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

Systemtic Name: 1-chloranyl-8,11-diethoxy-5-methyl-6-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6-benzyl-1-chloro-8,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8,11-diethoxy-5-methyl-6-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6-benzyl-1-chloro-8,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6-benzyl-1-chloro-8,11-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=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)OCC)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)OCC)CC4=CC=CC=C4)C

InChI

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