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

Systemtic Name: N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]-5-(thiophen-2-ylmethylamino)pentanamide hydrochloride Openeye Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(2-thienylmethylamino)pentanamide hydrochloride CAS Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(thiophen-2-ylmethylamino)pentanamide hydrochloride IUPAC Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(thiophen-2-ylmethylamino)pentanamide hydrochloride Traditional Name: N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]-5-(2-thenylamino)valeramide hydrochloride Formula: C24H25ClN4O2S MolecularWeight: 468.9989

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)CCCCNCC4=CC=CS4.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)CCCCNCC4=CC=CS4.Cl

InChI

InChI=1S/C24H24N4O2S.ClH/c29-22(12-3-4-13-25-16-19-9-6-14-31-19)26-18-8-5-7-17(15-18)23-20-10-1-2-11-21(20)24(30)28-27-23;/h1-2,5-11,14-15,25H,3-4,12-13,16H2,(H,26,29)(H,28,30);1H