N-[4-[[5,8-bis(oxidanylidene)-7-pyrrolidin-1-yl-isoquinolin-6-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[5,8-bis(oxidanylidene)-7-pyrrolidin-1-yl-isoquinolin-6-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[(5,8-dioxo-7-pyrrolidin-1-yl-6-isoquinolyl)amino]phenyl]acetamide CAS Name: N-[4-[[5,8-dioxo-7-(1-pyrrolidinyl)-6-isoquinolinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(5,8-dioxo-7-pyrrolidin-1-ylisoquinolin-6-yl)amino]phenyl]acetamide Traditional Name: N-[4-[(5,8-diketo-7-pyrrolidino-6-isoquinolyl)amino]phenyl]acetamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=CN=C3)N4CCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=CN=C3)N4CCCC4

InChI

InChI=1S/C21H20N4O3/c1-13(26)23-14-4-6-15(7-5-14)24-18-19(25-10-2-3-11-25)21(28)17-12-22-9-8-16(17)20(18)27/h4-9,12,24H,2-3,10-11H2,1H3,(H,23,26)