5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzenecarbonitrile Openeye Name: 2-(4-benzyl-1-piperidyl)-5-nitro-benzonitrile CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzonitrile IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-nitrobenzonitrile Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzonitrile Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H19N3O2/c20-14-17-13-18(22(23)24)6-7-19(17)21-10-8-16(9-11-21)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12H2