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

Systemtic Name: 4-[4-oxidanylidene-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroquinazolin-2-yl]benzoic acid Openeye Name: 4-[4-oxo-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroquinazolin-2-yl]benzoic acid CAS Name: 4-[4-oxo-1-[2-(4-phenyl-1-piperazinyl)ethyl]-2,3-dihydroquinazolin-2-yl]benzoic acid IUPAC Name: 4-[4-oxo-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroquinazolin-2-yl]benzoic acid Traditional Name: 4-[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=C(C=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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