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

Systemtic Name: N-[3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-5-(prop-2-ynylamino)pentanamide Openeye Name: N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-5-(prop-2-ynylamino)pentanamide CAS Name: N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-5-(prop-2-ynylamino)pentanamide IUPAC Name: N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-5-(prop-2-ynylamino)pentanamide Traditional Name: N-[3-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-5-(propargylamino)valeramide Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/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/h1,7-9,15,23H,3-6,10-14H2,(H,24,27)(H,26,28)