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

Systemtic Name: ethyl 4-[4-(furan-3-ylmethyl)piperazin-1-yl]-1-methyl-2-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(3-furylmethyl)piperazin-1-yl]-1-methyl-2-oxo-quinoline-3-carboxylate CAS Name: 4-[4-(3-furanylmethyl)-1-piperazinyl]-1-methyl-2-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(furan-3-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate Traditional Name: 4-[4-(3-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=COC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)CC4=COC=C4

InChI

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