4-[[6-(4-chlorophenyl)-1-methyl-3a,4-dihydro-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepin-3-yl]methyl]phenol

Systemtic Name: 4-[[6-(4-chlorophenyl)-1-methyl-3a,4-dihydro-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepin-3-yl]methyl]phenol Openeye Name: 4-[[6-(4-chlorophenyl)-1-methyl-3a,4-dihydro-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepin-3-yl]methyl]phenol CAS Name: 4-[[6-(4-chlorophenyl)-1-methyl-3a,4-dihydro-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepin-3-yl]methyl]phenol IUPAC Name: 4-[[6-(4-chlorophenyl)-1-methyl-3a,4-dihydro-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepin-3-yl]methyl]phenol Traditional Name: 4-[[6-(4-chlorophenyl)-1-methyl-3a,4-dihydro-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepin-3-yl]methyl]phenol Formula: C23H20ClN5O MolecularWeight: 417.8908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2N1C3=CC=CC=C3C(=NN2)C4=CC=C(C=C4)Cl)CC5=CC=C(C=C5)O

Isomeric SMILES

CC1=NN(C2N1C3=CC=CC=C3C(=NN2)C4=CC=C(C=C4)Cl)CC5=CC=C(C=C5)O

InChI

InChI=1S/C23H20ClN5O/c1-15-27-28(14-16-6-12-19(30)13-7-16)23-26-25-22(17-8-10-18(24)11-9-17)20-4-2-3-5-21(20)29(15)23/h2-13,23,26,30H,14H2,1H3