3-[4-oxidanylidene-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroquinazolin-2-yl]benzoic acid

Systemtic Name: 3-[4-oxidanylidene-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroquinazolin-2-yl]benzoic acid Openeye Name: 3-[4-oxo-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroquinazolin-2-yl]benzoic acid CAS Name: 3-[4-oxo-1-[2-(4-phenyl-1-piperazinyl)ethyl]-2,3-dihydroquinazolin-2-yl]benzoic acid IUPAC Name: 3-[4-oxo-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroquinazolin-2-yl]benzoic acid Traditional Name: 3-[4-keto-1-[2-(4-phenylpiperazino)ethyl]-2,3-dihydroquinazolin-2-yl]benzoic acid Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(NC(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCN2C(NC(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3/c32-26-23-11-4-5-12-24(23)31(25(28-26)20-7-6-8-21(19-20)27(33)34)18-15-29-13-16-30(17-14-29)22-9-2-1-3-10-22/h1-12,19,25H,13-18H2,(H,28,32)(H,33,34)