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

Systemtic Name: N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]-5-(prop-2-ynylamino)pentanamide Openeye Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(prop-2-ynylamino)pentanamide CAS Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(prop-2-ynylamino)pentanamide IUPAC Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(prop-2-ynylamino)pentanamide Traditional Name: N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]-5-(propargylamino)valeramide Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2/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)