4-[4-[(4-methyl-1-oxidanylidene-phthalazin-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(4-methyl-1-oxidanylidene-phthalazin-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(4-methyl-1-oxo-phthalazin-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(4-methyl-1-oxo-2-phthalazinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(1-keto-4-methyl-phthalazin-2-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H21N5O3S/c1-16-19-4-2-3-5-20(19)21(27)26(23-16)15-24-10-12-25(13-11-24)30(28,29)18-8-6-17(14-22)7-9-18/h2-9H,10-13,15H2,1H3