4-[[4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-keto-3H-phthalazine-1-carbonyl)piperazino]methyl]benzonitrile Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H19N5O2/c22-13-15-5-7-16(8-6-15)14-25-9-11-26(12-10-25)21(28)19-17-3-1-2-4-18(17)20(27)24-23-19/h1-8H,9-12,14H2,(H,24,27)