6-[4-(4-phenethylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(4-phenethylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(4-phenethylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(4-phenethyl-1-phthalazinyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(4-phenethylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(4-phenethylphthalazin-1-yl)piperazino]nicotinonitrile Formula: C26H24N6 MolecularWeight: 420.50896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NN=C(C4=CC=CC=C43)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NN=C(C4=CC=CC=C43)CCC5=CC=CC=C5

InChI

InChI=1S/C26H24N6/c27-18-21-11-13-25(28-19-21)31-14-16-32(17-15-31)26-23-9-5-4-8-22(23)24(29-30-26)12-10-20-6-2-1-3-7-20/h1-9,11,13,19H,10,12,14-17H2