3-[(3Z)-3-(5-azanylimidazol-4-ylidene)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]propanamide

Systemtic Name: 3-[(3Z)-3-(5-azanylimidazol-4-ylidene)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]propanamide Openeye Name: 3-[(3Z)-3-(5-aminoimidazol-4-ylidene)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide CAS Name: 3-[(3Z)-3-(5-amino-4-imidazolylidene)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide IUPAC Name: 3-[(3Z)-3-(5-aminoimidazol-4-ylidene)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide Traditional Name: 3-[(3Z)-3-(5-aminoimidazol-4-ylidene)-1,2,4-oxadiazol-5-yl]-N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]propionamide Formula: C19H21N9O3 MolecularWeight: 423.42854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)CCC3=NC(=C4C(=NC=N4)N)NO3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)CCC3=N/C(=C/4\C(=NC=N4)N)/NO3

InChI

InChI=1S/C19H21N9O3/c20-16-15(23-10-24-16)18-25-14(31-28-18)7-6-13(29)21-8-3-9-22-17-11-4-1-2-5-12(11)19(30)27-26-17/h1-2,4-5,10,28H,3,6-9H2,(H,21,29)(H,22,26)(H,27,30)(H2,20,23,24)/b18-15-