4-nitro-2-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(1-benzyl-4-piperidyl)ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1-benzylpiperidin-4-yl)ethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(1-benzyl-4-piperidyl)ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4/c26-21-18-7-4-8-19(25(28)29)20(18)22(27)24(21)14-11-16-9-12-23(13-10-16)15-17-5-2-1-3-6-17/h1-8,16H,9-15H2