2-[2-[(2,4-dimethylphenyl)amino]ethyl]-6-piperidin-1-yl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[(2,4-dimethylphenyl)amino]ethyl]-6-piperidin-1-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(2,4-dimethylanilino)ethyl]-6-(1-piperidyl)benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(2,4-dimethylanilino)ethyl]-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(2,4-dimethylanilino)ethyl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(2,4-dimethylanilino)ethyl]-6-piperidino-benzo[de]isoquinoline-1,3-quinone Formula: C27H29N3O2 MolecularWeight: 427.53806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCCN2C(=O)C3=C4C(=C(C=C3)N5CCCCC5)C=CC=C4C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NCCN2C(=O)C3=C4C(=C(C=C3)N5CCCCC5)C=CC=C4C2=O)C

InChI

InChI=1S/C27H29N3O2/c1-18-9-11-23(19(2)17-18)28-13-16-30-26(31)21-8-6-7-20-24(29-14-4-3-5-15-29)12-10-22(25(20)21)27(30)32/h6-12,17,28H,3-5,13-16H2,1-2H3