methyl 4-[[4-oxidanylidene-6-(2-propylpentanoylamino)-3H-phthalazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-6-(2-propylpentanoylamino)-3H-phthalazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-oxo-6-(2-propylpentanoylamino)-3H-phthalazin-1-yl]methyl]benzoate CAS Name: 4-[[4-oxo-6-[(1-oxo-2-propylpentyl)amino]-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-6-(2-propylpentanoylamino)-3H-phthalazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-keto-6-(2-propylpentanoylamino)-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC(CCC)C(=O)NC1=CC2=C(C=C1)C(=NNC2=O)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H29N3O4/c1-4-6-17(7-5-2)23(29)26-19-12-13-20-21(15-19)24(30)28-27-22(20)14-16-8-10-18(11-9-16)25(31)32-3/h8-13,15,17H,4-7,14H2,1-3H3,(H,26,29)(H,28,30)