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

Systemtic Name: 6-[4-(2-adamantyl)piperazin-1-yl]-3-chloranyl-5H-benzo[b][1,4]benzodiazepine Openeye Name: 6-[4-(2-adamantyl)piperazin-1-yl]-3-chloro-5H-benzo[b][1,4]benzodiazepine CAS Name: 6-[4-(2-adamantyl)-1-piperazinyl]-3-chloro-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 6-[4-(2-adamantyl)piperazin-1-yl]-3-chloro-5H-benzo[b][1,4]benzodiazepine Traditional Name: 6-[4-(2-adamantyl)piperazino]-3-chloro-5H-benzo[b][1,4]benzodiazepine Formula: C27H31ClN4 MolecularWeight: 447.01484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C5=C6C=CC=CC6=NC7=C(N5)C=C(C=C7)Cl

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C5=C6C=CC=CC6=NC7=C(N5)C=C(C=C7)Cl

InChI

InChI=1S/C27H31ClN4/c28-21-5-6-24-25(16-21)30-27(22-3-1-2-4-23(22)29-24)32-9-7-31(8-10-32)26-19-12-17-11-18(14-19)15-20(26)13-17/h1-6,16-20,26,30H,7-15H2