8-chloranyl-5-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 8-chloranyl-5-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-chloro-5-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-chloro-5-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-chloro-5-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-chloro-5-methyl-1-[4-(3-methylphenoxy)cyclohexyl]-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C24H27ClN4O MolecularWeight: 422.95038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2CCC(CC2)C3=NN=C4N3C5=C(CN(C4)C)C=C(C=C5)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OC2CCC(CC2)C3=NN=C4N3C5=C(CN(C4)C)C=C(C=C5)Cl

InChI

InChI=1S/C24H27ClN4O/c1-16-4-3-5-21(12-16)30-20-9-6-17(7-10-20)24-27-26-23-15-28(2)14-18-13-19(25)8-11-22(18)29(23)24/h3-5,8,11-13,17,20H,6-7,9-10,14-15H2,1-2H3