3-(3,4-dimethoxyphenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-4-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-4-oxo-N-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-N-[2-keto-2-(4-phenylpiperazino)ethyl]phthalazine-1-carboxamide Formula: C29H29N5O5 MolecularWeight: 527.57106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C29H29N5O5/c1-38-24-13-12-21(18-25(24)39-2)34-29(37)23-11-7-6-10-22(23)27(31-34)28(36)30-19-26(35)33-16-14-32(15-17-33)20-8-4-3-5-9-20/h3-13,18H,14-17,19H2,1-2H3,(H,30,36)