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

Systemtic Name: 1-chloranyl-11-ethoxy-5-methyl-6,8-bis(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6,8-dibenzyl-1-chloro-11-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-11-ethoxy-5-methyl-6,8-bis(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6,8-dibenzyl-1-chloro-11-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6,8-dibenzyl-1-chloro-11-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=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)CC4=CC=CC=C4)CC5=CC=CC=C5)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)CC4=CC=CC=C4)CC5=CC=CC=C5)C

InChI

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