3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[6-(4-methylpiperazino)-3-pyridyl]phthalazine-1-carboxamide Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C20H22N6O2/c1-24-9-11-26(12-10-24)17-8-7-14(13-21-17)22-19(27)18-15-5-3-4-6-16(15)20(28)25(2)23-18/h3-8,13H,9-12H2,1-2H3,(H,22,27)