8-chloranyl-1,2,4-trimethyl-6-phenyl-imidazo[1,2-a][1,4]benzodiazepin-4-ol; ethanoic acid

Systemtic Name: 8-chloranyl-1,2,4-trimethyl-6-phenyl-imidazo[1,2-a][1,4]benzodiazepin-4-ol; ethanoic acid Openeye Name: acetic acid; 8-chloro-1,2,4-trimethyl-6-phenyl-imidazo[1,2-a][1,4]benzodiazepin-4-ol CAS Name: acetic acid; 8-chloro-1,2,4-trimethyl-6-phenyl-4-imidazo[1,2-a][1,4]benzodiazepinol IUPAC Name: acetic acid; 8-chloro-1,2,4-trimethyl-6-phenylimidazo[1,2-a][1,4]benzodiazepin-4-ol Traditional Name: acetic acid; 8-chloro-1,2,4-trimethyl-6-phenyl-imidazo[1,2-a][1,4]benzodiazepin-4-ol Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(C=C(C=C3)Cl)C(=NC(C2=N1)(C)O)C4=CC=CC=C4)C.CC(=O)O

Isomeric SMILES

CC1=C(N2C3=C(C=C(C=C3)Cl)C(=NC(C2=N1)(C)O)C4=CC=CC=C4)C.CC(=O)O

InChI

InChI=1S/C20H18ClN3O.C2H4O2/c1-12-13(2)24-17-10-9-15(21)11-16(17)18(14-7-5-4-6-8-14)23-20(3,25)19(24)22-12;1-2(3)4/h4-11,25H,1-3H3;1H3,(H,3,4)