5-nitro-2-(3-pyrrolidin-1-ylpiperidin-1-yl)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(3-pyrrolidin-1-ylpiperidin-1-yl)benzenecarbonitrile Openeye Name: 5-nitro-2-(3-pyrrolidin-1-yl-1-piperidyl)benzonitrile CAS Name: 5-nitro-2-[3-(1-pyrrolidinyl)-1-piperidinyl]benzonitrile IUPAC Name: 5-nitro-2-(3-pyrrolidin-1-ylpiperidin-1-yl)benzonitrile Traditional Name: 5-nitro-2-(3-pyrrolidinopiperidino)benzonitrile Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCCN(C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCN(C1)C2CCCN(C2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H20N4O2/c17-11-13-10-14(20(21)22)5-6-16(13)19-9-3-4-15(12-19)18-7-1-2-8-18/h5-6,10,15H,1-4,7-9,12H2