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

Systemtic Name: 7-[3-[(2-cyanoethylamino)methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[(2-cyanoethylamino)methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[(2-cyanoethylamino)methyl]-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[(2-cyanoethylamino)methyl]-3-methylpyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[(2-cyanoethylamino)methyl]-3-methyl-pyrrolidino]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)CNCCC#N

Isomeric SMILES

CC1(CCN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)CNCCC#N

InChI

InChI=1S/C23H28N4O4/c1-23(13-25-10-3-9-24)8-11-26(14-23)18-7-6-16-19(21(18)31-2)27(15-4-5-15)12-17(20(16)28)22(29)30/h6-7,12,15,25H,3-5,8,10-11,13-14H2,1-2H3,(H,29,30)