methyl 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]methylamino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]methylamino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]methylamino]-5-oxo-pentanoate CAS Name: 5-[[4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-quinazolinyl]methylamino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]methylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-[4-(2-methoxyphenyl)piperazino]quinazolin-2-yl]methylamino]valeric acid methyl ester Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)CNC(=O)CCCC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)CNC(=O)CCCC(=O)OC

InChI

InChI=1S/C26H31N5O4/c1-34-22-11-6-5-10-21(22)30-14-16-31(17-15-30)26-19-8-3-4-9-20(19)28-23(29-26)18-27-24(32)12-7-13-25(33)35-2/h3-6,8-11H,7,12-18H2,1-2H3,(H,27,32)