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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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