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

Systemtic Name: 7-[3-[2-acetamido-1-(2-cyanoethylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[2-acetamido-1-(2-cyanoethylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[2-acetamido-1-(2-cyanoethylamino)ethyl]-1-pyrrolidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[2-acetamido-1-(2-cyanoethylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[2-acetamido-1-(2-cyanoethylamino)ethyl]pyrrolidino]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C25H31N5O4 MolecularWeight: 465.54474

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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(CNC(=O)C)NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O4/c1-15-22(29-11-8-17(13-29)21(12-28-16(2)31)27-10-3-9-26)7-6-19-23(15)30(18-4-5-18)14-20(24(19)32)25(33)34/h6-7,14,17-18,21,27H,3-5,8,10-13H2,1-2H3,(H,28,31)(H,33,34)