4,4-dibutyl-2-[3-(dimethylamino)propyl]isoquinoline-1,3-dione

Systemtic Name: 4,4-dibutyl-2-[3-(dimethylamino)propyl]isoquinoline-1,3-dione Openeye Name: 4,4-dibutyl-2-[3-(dimethylamino)propyl]isoquinoline-1,3-dione CAS Name: 4,4-dibutyl-2-[3-(dimethylamino)propyl]isoquinoline-1,3-dione IUPAC Name: 4,4-dibutyl-2-[3-(dimethylamino)propyl]isoquinoline-1,3-dione Traditional Name: 4,4-dibutyl-2-[3-(dimethylamino)propyl]isoquinoline-1,3-quinone Formula: C22H34N2O2 MolecularWeight: 358.51756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=CC=CC=C2C(=O)N(C1=O)CCCN(C)C)CCCC

Isomeric SMILES

CCCCC1(C2=CC=CC=C2C(=O)N(C1=O)CCCN(C)C)CCCC

InChI

InChI=1S/C22H34N2O2/c1-5-7-14-22(15-8-6-2)19-13-10-9-12-18(19)20(25)24(21(22)26)17-11-16-23(3)4/h9-10,12-13H,5-8,11,14-17H2,1-4H3