1-cyclopropyl-7-[4-(3-methoxy-3-oxidanylidene-propyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[4-(3-methoxy-3-oxidanylidene-propyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(3-methoxy-3-oxo-propyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-(3-methoxy-3-oxopropyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-7-[4-(3-keto-3-methoxy-propyl)piperazino]quinoline-3-carboxylic acid Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(CC1)C2=CC3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O

Isomeric SMILES

COC(=O)CCN1CCN(CC1)C2=CC3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O

InChI

InChI=1S/C21H25N3O5/c1-29-19(25)6-7-22-8-10-23(11-9-22)15-4-5-16-18(12-15)24(14-2-3-14)13-17(20(16)26)21(27)28/h4-5,12-14H,2-3,6-11H2,1H3,(H,27,28)