N-[3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-4-(prop-2-ynylamino)butanamide

Systemtic Name: N-[3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-4-(prop-2-ynylamino)butanamide Openeye Name: N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-4-(prop-2-ynylamino)butanamide CAS Name: N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-4-(prop-2-ynylamino)butanamide IUPAC Name: N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-4-(prop-2-ynylamino)butanamide Traditional Name: N-[3-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-4-(propargylamino)butyramide Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNCCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=C2CCCC3

Isomeric SMILES

C#CCNCCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=C2CCCC3

InChI

InChI=1S/C21H24N4O2/c1-2-12-22-13-6-11-19(26)23-16-8-5-7-15(14-16)20-17-9-3-4-10-18(17)21(27)25-24-20/h1,5,7-8,14,22H,3-4,6,9-13H2,(H,23,26)(H,25,27)