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

Systemtic Name: 1-chloranyl-8-ethoxy-5-methyl-6,11-bis(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6,11-dibenzyl-1-chloro-8-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8-ethoxy-5-methyl-6,11-bis(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6,11-dibenzyl-1-chloro-8-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6,11-dibenzyl-1-chloro-8-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C29H27ClN4O MolecularWeight: 483.00388

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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)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H27ClN4O/c1-3-35-25-17-22(14-20-10-6-4-7-11-20)27-23(18-25)16-24(15-21-12-8-5-9-13-21)33-26-28(30)31-19-32-29(26)34(27)2/h4-13,17-19H,3,14-16H2,1-2H3