3-(3-nitrophenyl)-2,4-bis(piperidin-1-ylcarbonyl)pentanedinitrile

Systemtic Name: 3-(3-nitrophenyl)-2,4-bis(piperidin-1-ylcarbonyl)pentanedinitrile Openeye Name: 3-(3-nitrophenyl)-2,4-bis(piperidine-1-carbonyl)pentanedinitrile CAS Name: 3-(3-nitrophenyl)-2,4-bis[oxo(1-piperidinyl)methyl]pentanedinitrile IUPAC Name: 3-(3-nitrophenyl)-2,4-bis(piperidine-1-carbonyl)pentanedinitrile Traditional Name: 3-(3-nitrophenyl)-2,4-bis(piperidine-1-carbonyl)glutaronitrile Formula: C23H27N5O4 MolecularWeight: 437.49158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C#N)C(C2=CC(=CC=C2)[N+](=O)[O-])C(C#N)C(=O)N3CCCCC3

Isomeric SMILES

C1CCN(CC1)C(=O)C(C#N)C(C2=CC(=CC=C2)[N+](=O)[O-])C(C#N)C(=O)N3CCCCC3

InChI

InChI=1S/C23H27N5O4/c24-15-19(22(29)26-10-3-1-4-11-26)21(17-8-7-9-18(14-17)28(31)32)20(16-25)23(30)27-12-5-2-6-13-27/h7-9,14,19-21H,1-6,10-13H2