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

Systemtic Name: 7-[3-[(2-cyanoethylamino)methyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[(2-cyanoethylamino)methyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[(2-cyanoethylamino)methyl]-1-pyrrolidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[(2-cyanoethylamino)methyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[(2-cyanoethylamino)methyl]pyrrolidino]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H26N4O3 MolecularWeight: 394.46684

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)CNCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-14-19(25-10-7-15(12-25)11-24-9-2-8-23)6-5-17-20(14)26(16-3-4-16)13-18(21(17)27)22(28)29/h5-6,13,15-16,24H,2-4,7,9-12H2,1H3,(H,28,29)