2,4,5-tris(chloranyl)-6-[4-(phenylmethyl)piperidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2,4,5-tris(chloranyl)-6-[4-(phenylmethyl)piperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-(4-benzyl-1-piperidyl)-2,4,5-trichloro-pyridine-3-carbonitrile CAS Name: 2,4,5-trichloro-6-[4-(phenylmethyl)-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2,4,5-trichloropyridine-3-carbonitrile Traditional Name: 6-(4-benzylpiperidino)-2,4,5-trichloro-nicotinonitrile Formula: C18H16Cl3N3 MolecularWeight: 380.69874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=C(C(=N3)Cl)C#N)Cl)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=C(C(=N3)Cl)C#N)Cl)Cl

InChI

InChI=1S/C18H16Cl3N3/c19-15-14(11-22)17(21)23-18(16(15)20)24-8-6-13(7-9-24)10-12-4-2-1-3-5-12/h1-5,13H,6-10H2