1-[4-[7-chloranyl-2-(4-methylphenyl)quinazolin-4-yl]piperazin-1-yl]-2-phenylmethoxy-ethanone

Systemtic Name: 1-[4-[7-chloranyl-2-(4-methylphenyl)quinazolin-4-yl]piperazin-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[4-[7-chloro-2-(p-tolyl)quinazolin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[7-chloro-2-(4-methylphenyl)-4-quinazolinyl]-1-piperazinyl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-[7-chloro-2-(4-methylphenyl)quinazolin-4-yl]piperazin-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-[7-chloro-2-(p-tolyl)quinazolin-4-yl]piperazino]ethanone Formula: C28H27ClN4O2 MolecularWeight: 486.99258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=N2)N4CCN(CC4)C(=O)COCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=N2)N4CCN(CC4)C(=O)COCC5=CC=CC=C5

InChI

InChI=1S/C28H27ClN4O2/c1-20-7-9-22(10-8-20)27-30-25-17-23(29)11-12-24(25)28(31-27)33-15-13-32(14-16-33)26(34)19-35-18-21-5-3-2-4-6-21/h2-12,17H,13-16,18-19H2,1H3