3-(4-methoxyphenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]phthalazine-1-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]phthalazine-1-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)-2-keto-ethyl]-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C29H29N5O4 MolecularWeight: 511.57166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N5O4/c1-38-23-13-11-22(12-14-23)34-29(37)25-10-6-5-9-24(25)27(31-34)28(36)30-19-26(35)33-17-15-32(16-18-33)20-21-7-3-2-4-8-21/h2-14H,15-20H2,1H3,(H,30,36)