N-[2-chloranyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]-5-(prop-2-enylamino)pentanamide

Systemtic Name: N-[2-chloranyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]-5-(prop-2-enylamino)pentanamide Openeye Name: 5-(allylamino)-N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide CAS Name: N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(prop-2-enylamino)pentanamide IUPAC Name: N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(prop-2-enylamino)pentanamide Traditional Name: 5-(allylamino)-N-[2-chloro-5-(4-keto-3H-phthalazin-1-yl)phenyl]valeramide Formula: C22H23ClN4O2 MolecularWeight: 410.89662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNCCCCC(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)Cl

Isomeric SMILES

C=CCNCCCCC(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)Cl

InChI

InChI=1S/C22H23ClN4O2/c1-2-12-24-13-6-5-9-20(28)25-19-14-15(10-11-18(19)23)21-16-7-3-4-8-17(16)22(29)27-26-21/h2-4,7-8,10-11,14,24H,1,5-6,9,12-13H2,(H,25,28)(H,27,29)