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

Systemtic Name: 7-[3-[2-cyanoethyl(methyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[2-cyanoethyl(methyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[2-cyanoethyl(methyl)amino]-1-pyrrolidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[2-cyanoethyl(methyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[2-cyanoethyl(methyl)amino]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)N(C)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-14-19(25-11-8-16(12-25)24(2)10-3-9-23)7-6-17-20(14)26(15-4-5-15)13-18(21(17)27)22(28)29/h6-7,13,15-16H,3-5,8,10-12H2,1-2H3,(H,28,29)