4-[1-[4-(phenylmethyl)phthalazin-1-yl]piperidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[1-[4-(phenylmethyl)phthalazin-1-yl]piperidin-4-yl]benzenecarbonitrile Openeye Name: 4-[1-(4-benzylphthalazin-1-yl)-4-piperidyl]benzonitrile CAS Name: 4-[1-[4-(phenylmethyl)-1-phthalazinyl]-4-piperidinyl]benzonitrile IUPAC Name: 4-[1-(4-benzylphthalazin-1-yl)piperidin-4-yl]benzonitrile Traditional Name: 4-[1-(4-benzylphthalazin-1-yl)-4-piperidyl]benzonitrile Formula: C27H24N4 MolecularWeight: 404.50626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=C(C=C2)C#N)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=CC=C(C=C2)C#N)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4/c28-19-21-10-12-22(13-11-21)23-14-16-31(17-15-23)27-25-9-5-4-8-24(25)26(29-30-27)18-20-6-2-1-3-7-20/h1-13,23H,14-18H2