8-chloranyl-6-phenyl-2-(piperidin-1-ylmethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine

Systemtic Name: 8-chloranyl-6-phenyl-2-(piperidin-1-ylmethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine Openeye Name: 8-chloro-6-phenyl-2-(1-piperidylmethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine CAS Name: 8-chloro-6-phenyl-2-(1-piperidinylmethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine IUPAC Name: 8-chloro-6-phenyl-2-(piperidin-1-ylmethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine Traditional Name: 8-chloro-6-phenyl-2-(piperidinomethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine Formula: C22H22ClN5 MolecularWeight: 391.89658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN3C(=N2)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CC2=NN3C(=N2)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C22H22ClN5/c23-17-9-10-19-18(13-17)22(16-7-3-1-4-8-16)24-14-21-25-20(26-28(19)21)15-27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2