N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H25N5O2/c1-3-26-10-12-27(13-11-26)16-8-9-19(15(2)14-16)23-22(29)20-17-6-4-5-7-18(17)21(28)25-24-20/h4-9,14H,3,10-13H2,1-2H3,(H,23,29)(H,25,28)