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

Systemtic Name: ethyl 4-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-[(4-benzylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 3-[(4-benzylpiperazino)methyl]-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c1-2-30-24(29)22-20(23(28)19-10-6-7-11-21(19)25-22)17-27-14-12-26(13-15-27)16-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3,(H,25,28)