[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 3-(3-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)propanoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)propionic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4/c1-27-22(26-21-10-6-5-9-20(21)25(27)32)11-12-24(31)33-18-23(30)29-15-13-28(14-16-29)17-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3