6-azanyl-1-cyclopropyl-8-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-2-carboxylic acid

Systemtic Name: 6-azanyl-1-cyclopropyl-8-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-2-carboxylic acid Openeye Name: 6-amino-1-cyclopropyl-8-methyl-4-oxo-7-piperazin-1-yl-quinoline-2-carboxylic acid CAS Name: 6-amino-1-cyclopropyl-8-methyl-4-oxo-7-(1-piperazinyl)-2-quinolinecarboxylic acid IUPAC Name: 6-amino-1-cyclopropyl-8-methyl-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid Traditional Name: 6-amino-1-cyclopropyl-4-keto-8-methyl-7-piperazino-quinaldic acid Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCNCC3)N)C(=O)C=C(N2C4CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCNCC3)N)C(=O)C=C(N2C4CC4)C(=O)O

InChI

InChI=1S/C18H22N4O3/c1-10-16-12(8-13(19)17(10)21-6-4-20-5-7-21)15(23)9-14(18(24)25)22(16)11-2-3-11/h8-9,11,20H,2-7,19H2,1H3,(H,24,25)