3-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 3-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholinomethyl)-N-[(E)-o-tolylmethyleneamino]triazole-4-carboxamide CAS Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-methylphenyl)methylideneamino]-5-(4-morpholinylmethyl)-4-triazolecarboxamide IUPAC Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-methylphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide Traditional Name: 3-(4-aminofurazan-3-yl)-N-[(E)-(2-methylbenzylidene)amino]-5-(morpholinomethyl)triazole-4-carboxamide Formula: C18H21N9O3 MolecularWeight: 411.41784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=NNC(=O)C2=C(N=NN2C3=NON=C3N)CN4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1/C=N/NC(=O)C2=C(N=NN2C3=NON=C3N)CN4CCOCC4

InChI

InChI=1S/C18H21N9O3/c1-12-4-2-3-5-13(12)10-20-22-18(28)15-14(11-26-6-8-29-9-7-26)21-25-27(15)17-16(19)23-30-24-17/h2-5,10H,6-9,11H2,1H3,(H2,19,23)(H,22,28)/b20-10+