7-[3-[1-(2-cyanoethylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[1-(2-cyanoethylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[1-(2-cyanoethylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[1-(2-cyanoethylamino)ethyl]-1-pyrrolidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[1-(2-cyanoethylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[1-(2-cyanoethylamino)ethyl]pyrrolidino]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C23H28N4O3 MolecularWeight: 408.49342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCC(C4)C(C)NCCC#N

Isomeric SMILES

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCC(C4)C(C)NCCC#N

InChI

InChI=1S/C23H28N4O3/c1-14-20(26-11-8-16(12-26)15(2)25-10-3-9-24)7-6-18-21(14)27(17-4-5-17)13-19(22(18)28)23(29)30/h6-7,13,15-17,25H,3-5,8,10-12H2,1-2H3,(H,29,30)