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

Systemtic Name: 6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[4-(phenylmethyl)-1-phthalazinyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(4-benzylphthalazin-1-yl)piperazino]nicotinonitrile Formula: C25H22N6 MolecularWeight: 406.48238

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N6/c26-17-20-10-11-24(27-18-20)30-12-14-31(15-13-30)25-22-9-5-4-8-21(22)23(28-29-25)16-19-6-2-1-3-7-19/h1-11,18H,12-16H2