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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-4-oxo-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)-2-keto-ethyl]-3-(3,4-dimethoxyphenyl)-4-keto-phthalazine-1-carboxamide Formula: C30H31N5O5 MolecularWeight: 541.59764

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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)CC5=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)CC5=CC=CC=C5)OC

InChI

InChI=1S/C30H31N5O5/c1-39-25-13-12-22(18-26(25)40-2)35-30(38)24-11-7-6-10-23(24)28(32-35)29(37)31-19-27(36)34-16-14-33(15-17-34)20-21-8-4-3-5-9-21/h3-13,18H,14-17,19-20H2,1-2H3,(H,31,37)