3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-4-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-4-keto-N-[2-keto-2-(4-phenylpiperazino)ethyl]phthalazine-1-carboxamide Formula: C28H26ClN5O4 MolecularWeight: 531.99014

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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)C5=CC=CC=C5)Cl

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)Cl

InChI

InChI=1S/C28H26ClN5O4/c1-38-24-12-11-20(17-23(24)29)34-28(37)22-10-6-5-9-21(22)26(31-34)27(36)30-18-25(35)33-15-13-32(14-16-33)19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3,(H,30,36)