3-[4-[2-azanyl-4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-[2-azanyl-4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]propanenitrile Openeye Name: 3-[4-[2-amino-4-(4-oxo-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[2-amino-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[2-amino-4-(4-oxo-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[2-amino-4-(4-keto-3H-phthalazin-1-yl)phenyl]piperazino]propionitrile Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

Isomeric SMILES

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

InChI

InChI=1S/C21H22N6O/c22-8-3-9-26-10-12-27(13-11-26)19-7-6-15(14-18(19)23)20-16-4-1-2-5-17(16)21(28)25-24-20/h1-2,4-7,14H,3,9-13,23H2,(H,25,28)