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

Systemtic Name: 7-[3-[1-[2-cyanoethyl(methyl)amino]cyclopropyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[1-[2-cyanoethyl(methyl)amino]cyclopropyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[1-[2-cyanoethyl(methyl)amino]cyclopropyl]-1-pyrrolidinyl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[1-[2-cyanoethyl(methyl)amino]cyclopropyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[1-[2-cyanoethyl(methyl)amino]cyclopropyl]pyrrolidino]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1(CC1)C2CCN(C2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC

Isomeric SMILES

CN(CCC#N)C1(CC1)C2CCN(C2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC

InChI

InChI=1S/C25H30N4O4/c1-27(12-3-11-26)25(9-10-25)16-8-13-28(14-16)20-7-6-18-21(23(20)33-2)29(17-4-5-17)15-19(22(18)30)24(31)32/h6-7,15-17H,3-5,8-10,12-14H2,1-2H3,(H,31,32)