6-azanyl-7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-7-[4-(cyanomethyl)-1-piperazinyl]-1-cyclopropyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-7-[4-(cyanomethyl)piperazino]-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC#N)N)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC#N)N)C(=O)O

InChI

InChI=1S/C19H21N5O3/c20-3-4-22-5-7-23(8-6-22)17-10-16-13(9-15(17)21)18(25)14(19(26)27)11-24(16)12-1-2-12/h9-12H,1-2,4-8,21H2,(H,26,27)