ethyl 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(2-furylmethyl)piperazin-1-yl]-1-methyl-2-oxo-quinoline-3-carboxylate CAS Name: 4-[4-(2-furanylmethyl)-1-piperazinyl]-1-methyl-2-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate Traditional Name: 4-[4-(2-furfuryl)piperazino]-2-keto-1-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)CC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)CC4=CC=CO4

InChI

InChI=1S/C22H25N3O4/c1-3-28-22(27)19-20(17-8-4-5-9-18(17)23(2)21(19)26)25-12-10-24(11-13-25)15-16-7-6-14-29-16/h4-9,14H,3,10-13,15H2,1-2H3