N-[4-[1,3-bis(oxidanylidene)-6-piperazin-1-yl-benzo[de]isoquinolin-2-yl]phenyl]ethanamide

Systemtic Name: N-[4-[1,3-bis(oxidanylidene)-6-piperazin-1-yl-benzo[de]isoquinolin-2-yl]phenyl]ethanamide Openeye Name: N-[4-(1,3-dioxo-6-piperazin-1-yl-benzo[de]isoquinolin-2-yl)phenyl]acetamide CAS Name: N-[4-[1,3-dioxo-6-(1-piperazinyl)-2-benzo[de]isoquinolinyl]phenyl]acetamide IUPAC Name: N-[4-(1,3-dioxo-6-piperazin-1-ylbenzo[de]isoquinolin-2-yl)phenyl]acetamide Traditional Name: N-[4-(1,3-diketo-6-piperazino-benzo[de]isoquinolin-2-yl)phenyl]acetamide Formula: C24H22N4O3 MolecularWeight: 414.45648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N5CCNCC5)C=CC=C4C2=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N5CCNCC5)C=CC=C4C2=O

InChI

InChI=1S/C24H22N4O3/c1-15(29)26-16-5-7-17(8-6-16)28-23(30)19-4-2-3-18-21(27-13-11-25-12-14-27)10-9-20(22(18)19)24(28)31/h2-10,25H,11-14H2,1H3,(H,26,29)