ethyl 4-[2-(4-phenoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-phenoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-phenoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-(4-phenoxyphenyl)-4-quinazolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-phenoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-phenoxyphenyl)quinazolin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c1-2-33-27(32)31-18-16-30(17-19-31)26-23-10-6-7-11-24(23)28-25(29-26)20-12-14-22(15-13-20)34-21-8-4-3-5-9-21/h3-15H,2,16-19H2,1H3