5-(butylamino)-2-(2-diethylaminoethyl)isoindole-1,3-dione

Systemtic Name: 5-(butylamino)-2-(2-diethylaminoethyl)isoindole-1,3-dione Openeye Name: 5-(butylamino)-2-(2-diethylaminoethyl)isoindoline-1,3-dione CAS Name: 5-(butylamino)-2-(2-diethylaminoethyl)isoindole-1,3-dione IUPAC Name: 5-(butylamino)-2-(2-diethylaminoethyl)isoindole-1,3-dione Traditional Name: 5-(butylamino)-2-(2-diethylaminoethyl)isoindoline-1,3-quinone Formula: C18H27N3O2 MolecularWeight: 317.42588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC2=C(C=C1)C(=O)N(C2=O)CCN(CC)CC

Isomeric SMILES

CCCCNC1=CC2=C(C=C1)C(=O)N(C2=O)CCN(CC)CC

InChI

InChI=1S/C18H27N3O2/c1-4-7-10-19-14-8-9-15-16(13-14)18(23)21(17(15)22)12-11-20(5-2)6-3/h8-9,13,19H,4-7,10-12H2,1-3H3