5-[bis(azanyl)methylideneamino]-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide

Systemtic Name: 5-[bis(azanyl)methylideneamino]-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide Openeye Name: 5-guanidino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide CAS Name: 5-(diaminomethylideneamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide IUPAC Name: 5-(diaminomethylideneamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide Traditional Name: 5-guanidino-N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]valeramide Formula: C20H22N6O2 MolecularWeight: 378.42768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)CCCCN=C(N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)CCCCN=C(N)N

InChI

InChI=1S/C20H22N6O2/c21-20(22)23-11-4-3-10-17(27)24-14-7-5-6-13(12-14)18-15-8-1-2-9-16(15)19(28)26-25-18/h1-2,5-9,12H,3-4,10-11H2,(H,24,27)(H,26,28)(H4,21,22,23)