[2-[(Z)-[[1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2,3-triazol-4-yl]carbonylhydrazinylidene]methyl]-6-methoxy-phenyl] benzoate

Systemtic Name: [2-[(Z)-[[1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,2,3-triazol-4-yl]carbonylhydrazinylidene]methyl]-6-methoxy-phenyl] benzoate Openeye Name: [2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carbonyl]hydrazono]methyl]-6-methoxy-phenyl] benzoate CAS Name: benzoic acid [2-[(Z)-[[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-triazolyl]-oxomethyl]hydrazinylidene]methyl]-6-methoxyphenyl] ester IUPAC Name: [2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]-6-methoxyphenyl] benzoate Traditional Name: benzoic acid [2-[(Z)-[[1-(4-aminofurazan-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carbonyl]hydrazono]methyl]-6-methoxy-phenyl] ester Formula: C30H27N9O5 MolecularWeight: 593.59268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC(=O)C2=CC=CC=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CN5CCCC6=CC=CC=C65

Isomeric SMILES

COC1=CC=CC(=C1OC(=O)C2=CC=CC=C2)/C=N\NC(=O)C3=C(N(N=N3)C4=NON=C4N)CN5CCCC6=CC=CC=C65

InChI

InChI=1S/C30H27N9O5/c1-42-24-15-7-12-21(26(24)43-30(41)20-10-3-2-4-11-20)17-32-34-29(40)25-23(39(37-33-25)28-27(31)35-44-36-28)18-38-16-8-13-19-9-5-6-14-22(19)38/h2-7,9-12,14-15,17H,8,13,16,18H2,1H3,(H2,31,35)(H,34,40)/b32-17-