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

Systemtic Name: N-[2-chloranyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]-5-(prop-2-ynylamino)pentanamide Openeye Name: N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(prop-2-ynylamino)pentanamide CAS Name: N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(prop-2-ynylamino)pentanamide IUPAC Name: N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(prop-2-ynylamino)pentanamide Traditional Name: N-[2-chloro-5-(4-keto-3H-phthalazin-1-yl)phenyl]-5-(propargylamino)valeramide Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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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/C22H21ClN4O2/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/h1,3-4,7-8,10-11,14,24H,5-6,9,12-13H2,(H,25,28)(H,27,29)