3-chloranyl-6-(4-dimethoxyphosphorylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-6-(4-dimethoxyphosphorylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-(4-dimethoxyphosphorylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-(4-dimethoxyphosphoryl-1-piperazinyl)-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-(4-dimethoxyphosphorylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-(4-dimethoxyphosphorylpiperazino)-5H-benzo[b][1,4]benzodiazepine Formula: C19H22ClN4O3P MolecularWeight: 420.829741

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(N1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)OC

Isomeric SMILES

COP(=O)(N1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)OC

InChI

InChI=1S/C19H22ClN4O3P/c1-26-28(25,27-2)24-11-9-23(10-12-24)19-15-5-3-4-6-16(15)21-17-8-7-14(20)13-18(17)22-19/h3-8,13,22H,9-12H2,1-2H3