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

Systemtic Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(ethyl)amino]ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(ethyl)amino]ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(ethyl)amino]ethyl]-1-pyrrolidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(ethyl)amino]ethyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[2-acetamido-1-[2-cyanoethyl(ethyl)amino]ethyl]pyrrolidino]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C(CNC(=O)C)C1CCN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C

Isomeric SMILES

CCN(CCC#N)C(CNC(=O)C)C1CCN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C

InChI

InChI=1S/C27H35N5O4/c1-4-30(12-5-11-28)24(14-29-18(3)33)19-10-13-31(15-19)23-9-8-21-25(17(23)2)32(20-6-7-20)16-22(26(21)34)27(35)36/h8-9,16,19-20,24H,4-7,10,12-15H2,1-3H3,(H,29,33)(H,35,36)