N-[4-oxidanylidene-1-(thiophen-2-ylmethyl)-3H-phthalazin-6-yl]-2-propyl-pentanamide

Systemtic Name: N-[4-oxidanylidene-1-(thiophen-2-ylmethyl)-3H-phthalazin-6-yl]-2-propyl-pentanamide Openeye Name: N-[4-oxo-1-(2-thienylmethyl)-3H-phthalazin-6-yl]-2-propyl-pentanamide CAS Name: N-[4-oxo-1-(thiophen-2-ylmethyl)-3H-phthalazin-6-yl]-2-propylpentanamide IUPAC Name: N-[4-oxo-1-(thiophen-2-ylmethyl)-3H-phthalazin-6-yl]-2-propylpentanamide Traditional Name: N-[4-keto-1-(2-thenyl)-3H-phthalazin-6-yl]-2-propyl-valeramide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=CC2=C(C=C1)C(=NNC2=O)CC3=CC=CS3

Isomeric SMILES

CCCC(CCC)C(=O)NC1=CC2=C(C=C1)C(=NNC2=O)CC3=CC=CS3

InChI

InChI=1S/C21H25N3O2S/c1-3-6-14(7-4-2)20(25)22-15-9-10-17-18(12-15)21(26)24-23-19(17)13-16-8-5-11-27-16/h5,8-12,14H,3-4,6-7,13H2,1-2H3,(H,22,25)(H,24,26)