4-azanylidene-5-(4-hydroxyphenyl)-3,3-dimethyl-1,2,5-benzotriazepin-8-ol dihydrochloride

Systemtic Name: 4-azanylidene-5-(4-hydroxyphenyl)-3,3-dimethyl-1,2,5-benzotriazepin-8-ol dihydrochloride Openeye Name: 5-(4-hydroxyphenyl)-4-imino-3,3-dimethyl-1,2,5-benzotriazepin-8-ol dihydrochloride CAS Name: 5-(4-hydroxyphenyl)-4-imino-3,3-dimethyl-1,2,5-benzotriazepin-8-ol dihydrochloride IUPAC Name: 5-(4-hydroxyphenyl)-4-imino-3,3-dimethyl-1,2,5-benzotriazepin-8-ol dihydrochloride Traditional Name: 5-(4-hydroxyphenyl)-4-imino-3,3-dimethyl-1,2,5-benzotriazepin-8-ol dihydrochloride Formula: C16H18Cl2N4O2 MolecularWeight: 369.24572

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=N)N(C2=C(C=C(C=C2)O)N=N1)C3=CC=C(C=C3)O)C.Cl.Cl

Isomeric SMILES

CC1(C(=N)N(C2=C(C=C(C=C2)O)N=N1)C3=CC=C(C=C3)O)C.Cl.Cl

InChI

InChI=1S/C16H16N4O2.2ClH/c1-16(2)15(17)20(10-3-5-11(21)6-4-10)14-8-7-12(22)9-13(14)18-19-16;;/h3-9,17,21-22H,1-2H3;2*1H