[(E)-[(4-azanyl-1,2,5-oxadiazol-3-yl)-piperidin-1-yl-methylidene]amino] 4-tert-butylbenzoate

Systemtic Name: [(E)-[(4-azanyl-1,2,5-oxadiazol-3-yl)-piperidin-1-yl-methylidene]amino] 4-tert-butylbenzoate Openeye Name: [(E)-[(4-amino-1,2,5-oxadiazol-3-yl)-(1-piperidyl)methylene]amino] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(E)-[(4-amino-1,2,5-oxadiazol-3-yl)-(1-piperidinyl)methylidene]amino] ester IUPAC Name: [(E)-[(4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethylidene]amino] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(E)-[(4-aminofurazan-3-yl)-piperidino-methylene]amino] ester Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)ON=C(C2=NON=C2N)N3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)O/N=C(\C2=NON=C2N)/N3CCCCC3

InChI

InChI=1S/C19H25N5O3/c1-19(2,3)14-9-7-13(8-10-14)18(25)26-23-17(15-16(20)22-27-21-15)24-11-5-4-6-12-24/h7-10H,4-6,11-12H2,1-3H3,(H2,20,22)/b23-17+