N-methyl-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-methyl-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-methyl-3-[[4-(o-tolyl)piperazin-1-yl]methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-3-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-methyl-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[[4-(o-tolyl)piperazino]methyl]phthalazine-1-carboxamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC

InChI

InChI=1S/C22H25N5O2/c1-16-7-3-6-10-19(16)26-13-11-25(12-14-26)15-27-22(29)18-9-5-4-8-17(18)20(24-27)21(28)23-2/h3-10H,11-15H2,1-2H3,(H,23,28)