2-[4-[[9-chloranyl-7-(2-chlorophenyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2-yl]methyl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[[9-chloranyl-7-(2-chlorophenyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2-yl]methyl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[[9-chloro-7-(2-chlorophenyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2-yl]methyl]piperazin-1-yl]ethanol CAS Name: 2-[4-[[9-chloro-7-(2-chlorophenyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2-yl]methyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[[9-chloro-7-(2-chlorophenyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2-yl]methyl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[[9-chloro-7-(2-chlorophenyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2-yl]methyl]piperazino]ethanol Formula: C24H26Cl2N6O MolecularWeight: 485.40884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CC2=NN=C3CN=C(C4=C(N3C2)C=CC(=C4)Cl)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1CCO)CC2=NN=C3CN=C(C4=C(N3C2)C=CC(=C4)Cl)C5=CC=CC=C5Cl

InChI

InChI=1S/C24H26Cl2N6O/c25-17-5-6-22-20(13-17)24(19-3-1-2-4-21(19)26)27-14-23-29-28-18(16-32(22)23)15-31-9-7-30(8-10-31)11-12-33/h1-6,13,33H,7-12,14-16H2