N-(2-azanylethyl)-3-(4-oxidanylidene-4aH-phthalazin-1-yl)propanamide

Systemtic Name: N-(2-azanylethyl)-3-(4-oxidanylidene-4aH-phthalazin-1-yl)propanamide Openeye Name: N-(2-aminoethyl)-3-(4-oxo-4aH-phthalazin-1-yl)propanamide CAS Name: N-(2-aminoethyl)-3-(4-oxo-4aH-phthalazin-1-yl)propanamide IUPAC Name: N-(2-aminoethyl)-3-(4-oxo-4aH-phthalazin-1-yl)propanamide Traditional Name: N-(2-aminoethyl)-3-(4-keto-4aH-phthalazin-1-yl)propionamide Formula: C13H16N4O2 MolecularWeight: 260.29174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=C(N=NC2=O)CCC(=O)NCCN)C=C1

Isomeric SMILES

C1=CC2C(=C(N=NC2=O)CCC(=O)NCCN)C=C1

InChI

InChI=1S/C13H16N4O2/c14-7-8-15-12(18)6-5-11-9-3-1-2-4-10(9)13(19)17-16-11/h1-4,10H,5-8,14H2,(H,15,18)