2-(8-chloranyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)-N,N-dimethyl-ethanamine; cyclohexane; cyclohexylsulfamic acid

Systemtic Name: 2-(8-chloranyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)-N,N-dimethyl-ethanamine; cyclohexane; cyclohexylsulfamic acid Openeye Name: 2-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)-N,N-dimethyl-ethanamine; cyclohexane; cyclohexylsulfamic acid CAS Name: 2-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)-N,N-dimethylethanamine; cyclohexane; cyclohexylsulfamic acid IUPAC Name: 2-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)-N,N-dimethylethanamine; cyclohexane; cyclohexylsulfamic acid Traditional Name: 2-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)ethyl-dimethyl-amine; cyclohexane; cyclohexylsulfamic acid Formula: C32H45ClN6O3S MolecularWeight: 629.2561

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4.C1CCCCC1.C1CCC(CC1)NS(=O)(=O)O

Isomeric SMILES

CN(C)CCC1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4.C1CCCCC1.C1CCC(CC1)NS(=O)(=O)O

InChI

InChI=1S/C20H20ClN5.C6H13NO3S.C6H12/c1-25(2)11-10-17-20-24-22-13-26(20)18-9-8-15(21)12-16(18)19(23-17)14-6-4-3-5-7-14;8-11(9,10)7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h3-9,12-13,17H,10-11H2,1-2H3;6-7H,1-5H2,(H,8,9,10);1-6H2