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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 3-(3-cyclopropyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-cyclopropyl-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-cyclopropyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(3-cyclopropyl-4-keto-quinazolin-2-yl)propionic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O4/c32-25(30-16-14-29(15-17-30)18-20-6-2-1-3-7-20)19-35-26(33)13-12-24-28-23-9-5-4-8-22(23)27(34)31(24)21-10-11-21/h1-9,21H,10-19H2