N-[1-(3,4-diethoxyphenyl)ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[1-(3,4-diethoxyphenyl)ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-(3,4-diethoxyphenyl)ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[1-(3,4-diethoxyphenyl)ethyl]-4-keto-phthalazine-1-carboxamide Formula: C28H29N3O4 MolecularWeight: 471.54756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)OCC

InChI

InChI=1S/C28H29N3O4/c1-4-34-24-16-15-21(17-25(24)35-5-2)19(3)29-27(32)26-22-13-9-10-14-23(22)28(33)31(30-26)18-20-11-7-6-8-12-20/h6-17,19H,4-5,18H2,1-3H3,(H,29,32)