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

Systemtic Name: 4-[4-[(1-oxidanylidene-4-phenyl-phthalazin-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(1-oxo-4-phenyl-phthalazin-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(1-oxo-4-phenyl-2-phthalazinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(1-oxo-4-phenylphthalazin-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(1-keto-4-phenyl-phthalazin-2-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C26H23N5O3S MolecularWeight: 485.55752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H23N5O3S/c27-18-20-10-12-22(13-11-20)35(33,34)30-16-14-29(15-17-30)19-31-26(32)24-9-5-4-8-23(24)25(28-31)21-6-2-1-3-7-21/h1-13H,14-17,19H2