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

Systemtic Name: 2-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[1-[(4-chlorophenyl)methyl]-4-piperidyl]ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]ethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-[1-(4-chlorobenzyl)-4-piperidyl]ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4/c23-17-3-1-16(2-4-17)14-24-10-7-15(8-11-24)9-12-25-21(27)19-6-5-18(26(29)30)13-20(19)22(25)28/h1-6,13,15H,7-12,14H2