3-[(5Z)-5-[(E)-(1-ethyl-2-phenyl-indol-1-ium-3-ylidene)hydrazinylidene]-1-(phenylmethyl)-1,2,4-triazol-4-yl]propanamide chloride

Systemtic Name: 3-[(5Z)-5-[(E)-(1-ethyl-2-phenyl-indol-1-ium-3-ylidene)hydrazinylidene]-1-(phenylmethyl)-1,2,4-triazol-4-yl]propanamide chloride Openeye Name: 3-[(5Z)-1-benzyl-5-[(E)-(1-ethyl-2-phenyl-indol-1-ium-3-ylidene)hydrazono]-1,2,4-triazol-4-yl]propanamide chloride CAS Name: 3-[(5Z)-5-[(E)-(1-ethyl-2-phenyl-3-indol-1-iumylidene)hydrazinylidene]-1-(phenylmethyl)-1,2,4-triazol-4-yl]propanamide chloride IUPAC Name: 3-[(5Z)-1-benzyl-5-[(E)-(1-ethyl-2-phenylindol-1-ium-3-ylidene)hydrazinylidene]-1,2,4-triazol-4-yl]propanamide chloride Traditional Name: 3-[(5Z)-1-benzyl-5-[(E)-(1-ethyl-2-phenyl-indol-1-ium-3-ylidene)hydrazono]-1,2,4-triazol-4-yl]propionamide chloride Formula: C28H28ClN7O MolecularWeight: 514.02122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(=NN=C2N(C=NN2CC3=CC=CC=C3)CCC(=O)N)C4=CC=CC=C41)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC[N+]1=C(/C(=N/N=C\2/N(C=NN2CC3=CC=CC=C3)CCC(=O)N)/C4=CC=CC=C41)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C28H27N7O.ClH/c1-2-34-24-16-10-9-15-23(24)26(27(34)22-13-7-4-8-14-22)31-32-28-33(18-17-25(29)36)20-30-35(28)19-21-11-5-3-6-12-21;/h3-16,20H,2,17-19H2,1H3,(H-,29,36);1H