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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(NC(=O)C3=CC=CC=C32)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCN2C(NC(=O)C3=CC=CC=C32)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5

InChI

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