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

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C

InChI

InChI=1S/C28H29N5O2/c1-3-31-15-17-32(18-16-31)22-13-14-25(20(2)19-22)29-27(34)26-23-11-7-8-12-24(23)28(35)33(30-26)21-9-5-4-6-10-21/h4-14,19H,3,15-18H2,1-2H3,(H,29,34)