4-[[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-4-oxidanylidene-quinazolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-4-oxo-quinazolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-(4-methyl-1-piperazinyl)prop-1-ynyl]-4-oxo-3-quinazolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-4-oxoquinazolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[3-(4-methylpiperazino)prop-1-ynyl]quinazolin-3-yl]methyl]benzoic acid Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC#CC2=CC3=C(C=C2)N=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H24N4O3/c1-26-11-13-27(14-12-26)10-2-3-18-6-9-22-21(15-18)23(29)28(17-25-22)16-19-4-7-20(8-5-19)24(30)31/h4-9,15,17H,10-14,16H2,1H3,(H,30,31)