2-[5-[ethyl(3-phenylpropyl)amino]pentyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[5-[ethyl(3-phenylpropyl)amino]pentyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[5-[ethyl(3-phenylpropyl)amino]pentyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[5-[ethyl(3-phenylpropyl)amino]pentyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[5-[ethyl(3-phenylpropyl)amino]pentyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[5-[ethyl(3-phenylpropyl)amino]pentyl]-5-nitro-isoindoline-1,3-quinone Formula: C24H29N3O4 MolecularWeight: 423.50476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CCCC3=CC=CC=C3

Isomeric SMILES

CCN(CCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CCCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4/c1-2-25(16-9-12-19-10-5-3-6-11-19)15-7-4-8-17-26-23(28)21-14-13-20(27(30)31)18-22(21)24(26)29/h3,5-6,10-11,13-14,18H,2,4,7-9,12,15-17H2,1H3