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

Systemtic Name: 5-nitro-4-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]isoindole-1,3-dione Openeye Name: 4-[2-(1-benzyl-4-piperidyl)ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 5-nitro-4-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]isoindole-1,3-dione IUPAC Name: 4-[2-(1-benzylpiperidin-4-yl)ethyl]-5-nitroisoindole-1,3-dione Traditional Name: 4-[2-(1-benzyl-4-piperidyl)ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=C(C=CC3=C2C(=O)NC3=O)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CCC2=C(C=CC3=C2C(=O)NC3=O)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4/c26-21-18-8-9-19(25(28)29)17(20(18)22(27)23-21)7-6-15-10-12-24(13-11-15)14-16-4-2-1-3-5-16/h1-5,8-9,15H,6-7,10-14H2,(H,23,26,27)