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

Systemtic Name: 3-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[4-(4-acetylphenyl)piperazino]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC

InChI

InChI=1S/C23H25N5O3/c1-16(29)17-7-9-18(10-8-17)27-13-11-26(12-14-27)15-28-23(31)20-6-4-3-5-19(20)21(25-28)22(30)24-2/h3-10H,11-15H2,1-2H3,(H,24,30)