N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(4-methyl-1-piperazinyl)phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[2-(4-methylpiperazino)phenyl]phthalazine-1-carboxamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2/c1-30-15-17-31(18-16-30)24-14-8-7-13-23(24)28-26(33)25-21-11-5-6-12-22(21)27(34)32(29-25)19-20-9-3-2-4-10-20/h2-14H,15-19H2,1H3,(H,28,33)