8-cyano-1-cyclopropyl-5,6-dimethyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 8-cyano-1-cyclopropyl-5,6-dimethyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 8-cyano-1-cyclopropyl-5,6-dimethyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 8-cyano-1-cyclopropyl-5,6-dimethyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-cyano-1-cyclopropyl-5,6-dimethyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 8-cyano-1-cyclopropyl-4-keto-5,6-dimethyl-7-piperazino-quinoline-3-carboxylic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)N3CCNCC3)C#N)N(C=C(C2=O)C(=O)O)C4CC4

Isomeric SMILES

CC1=C2C(=C(C(=C1C)N3CCNCC3)C#N)N(C=C(C2=O)C(=O)O)C4CC4

InChI

InChI=1S/C20H22N4O3/c1-11-12(2)17(23-7-5-22-6-8-23)14(9-21)18-16(11)19(25)15(20(26)27)10-24(18)13-3-4-13/h10,13,22H,3-8H2,1-2H3,(H,26,27)