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

Systemtic Name: 5-(2-cyanoethylamino)-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide Openeye Name: 5-(2-cyanoethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide CAS Name: 5-(2-cyanoethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide IUPAC Name: 5-(2-cyanoethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide Traditional Name: 5-(2-cyanoethylamino)-N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]valeramide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c23-12-6-14-24-13-4-3-11-20(28)25-17-8-5-7-16(15-17)21-18-9-1-2-10-19(18)22(29)27-26-21/h1-2,5,7-10,15,24H,3-4,6,11,13-14H2,(H,25,28)(H,27,29)