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

Systemtic Name: 1-chloranyl-5-methyl-6,11-bis(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Openeye Name: 6,11-dibenzyl-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol CAS Name: 1-chloro-5-methyl-6,11-bis(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol IUPAC Name: 6,11-dibenzyl-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Traditional Name: 6,11-dibenzyl-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Formula: C27H23ClN4O MolecularWeight: 454.95072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)CC4=CC=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)CC4=CC=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C27H23ClN4O/c1-32-25-20(12-18-8-4-2-5-9-18)15-23(33)16-21(25)14-22(13-19-10-6-3-7-11-19)31-24-26(28)29-17-30-27(24)32/h2-11,15-17,33H,12-14H2,1H3