ethyl 1-[[3-(4-ethylpiperazin-1-yl)carbonylphenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate

Systemtic Name: ethyl 1-[[3-(4-ethylpiperazin-1-yl)carbonylphenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate Openeye Name: ethyl 1-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate CAS Name: 1-[[3-[(4-ethyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate Traditional Name: 1-[3-(4-ethylpiperazine-1-carbonyl)benzyl]-4-(3-fluorophenyl)-2-keto-6-methyl-3,4-dihydropyridine-5-carboxylic acid ethyl ester Formula: C29H34FN3O4 MolecularWeight: 507.596363

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=C(C(CC3=O)C4=CC(=CC=C4)F)C(=O)OCC)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3C(=C(C(CC3=O)C4=CC(=CC=C4)F)C(=O)OCC)C

InChI

InChI=1S/C29H34FN3O4/c1-4-31-12-14-32(15-13-31)28(35)23-10-6-8-21(16-23)19-33-20(3)27(29(36)37-5-2)25(18-26(33)34)22-9-7-11-24(30)17-22/h6-11,16-17,25H,4-5,12-15,18-19H2,1-3H3