methyl 4-[4-[6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-quinolyl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-quinolinyl]-1-piperazinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[4-[6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-quinolyl]piperazino]butyric acid methyl ester Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)N3CCN(CC3)C(=O)CCC(=O)OC)C4=NOC(=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)N3CCN(CC3)C(=O)CCC(=O)OC)C4=NOC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O4/c1-18-8-9-22-20(16-18)17-21(25-29-27(36-30-25)19-6-4-3-5-7-19)26(28-22)32-14-12-31(13-15-32)23(33)10-11-24(34)35-2/h3-9,16-17H,10-15H2,1-2H3