3-chloranyl-6-(4-prop-2-ynylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-6-(4-prop-2-ynylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-(4-prop-2-ynylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-(4-prop-2-ynyl-1-piperazinyl)-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-(4-prop-2-ynylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-(4-propargylpiperazino)-5H-benzo[b][1,4]benzodiazepine Formula: C20H19ClN4 MolecularWeight: 350.84466

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl

Isomeric SMILES

C#CCN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN4/c1-2-9-24-10-12-25(13-11-24)20-16-5-3-4-6-17(16)22-18-8-7-15(21)14-19(18)23-20/h1,3-8,14,23H,9-13H2