N-(2-butan-2-ylphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(2-butan-2-ylphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-(2-sec-butylphenyl)phthalazine-1-carboxamide CAS Name: N-(2-butan-2-ylphenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(2-butan-2-ylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(2-sec-butylphenyl)phthalazine-1-carboxamide Formula: C26H25N3O2 MolecularWeight: 411.4956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2/c1-3-18(2)20-13-9-10-16-23(20)27-25(30)24-21-14-7-8-15-22(21)26(31)29(28-24)17-19-11-5-4-6-12-19/h4-16,18H,3,17H2,1-2H3,(H,27,30)