3-(4-azanyl-1,2,5-oxadiazol-3-yl)-N'-[1-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-5-(pyrrolidin-1-ylmethyl)-1,2,3-triazole-4-carbohydrazide

Systemtic Name: 3-(4-azanyl-1,2,5-oxadiazol-3-yl)-N'-[1-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-5-(pyrrolidin-1-ylmethyl)-1,2,3-triazole-4-carbohydrazide Openeye Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]-5-(pyrrolidin-1-ylmethyl)triazole-4-carbohydrazide CAS Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethyl]-5-(1-pyrrolidinylmethyl)-4-triazolecarbohydrazide IUPAC Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]-5-(pyrrolidin-1-ylmethyl)triazole-4-carbohydrazide Traditional Name: 3-(4-aminofurazan-3-yl)-N'-[1-(6-ketocyclohexa-2,4-dien-1-ylidene)ethyl]-5-(pyrrolidinomethyl)triazole-4-carbohydrazide Formula: C18H21N9O3 MolecularWeight: 411.41784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC=CC1=O)NNC(=O)C2=C(N=NN2C3=NON=C3N)CN4CCCC4

Isomeric SMILES

CC(=C1C=CC=CC1=O)NNC(=O)C2=C(N=NN2C3=NON=C3N)CN4CCCC4

InChI

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