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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2.ClH/c1-2-13-23-14-6-5-12-20(27)24-17-9-7-8-16(15-17)21-18-10-3-4-11-19(18)22(28)26-25-21;/h1,3-4,7-11,15,23H,5-6,12-14H2,(H,24,27)(H,26,28);1H