7-chloranyl-2-[1-[(6-oxidanylidenepiperidin-2-yl)methoxy]-2-phenyl-ethyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[1-[(6-oxidanylidenepiperidin-2-yl)methoxy]-2-phenyl-ethyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-7-chloro-2-[1-[(6-oxo-2-piperidyl)methoxy]-2-phenyl-ethyl]quinazolin-4-one CAS Name: 7-chloro-2-[1-[(6-oxo-2-piperidinyl)methoxy]-2-phenylethyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-7-chloro-2-[1-[(6-oxopiperidin-2-yl)methoxy]-2-phenylethyl]quinazolin-4-one Traditional Name: 3-benzyl-7-chloro-2-[1-[(6-keto-2-piperidyl)methoxy]-2-phenyl-ethyl]quinazolin-4-one Formula: C29H28ClN3O3 MolecularWeight: 502.00392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC(=O)C1)COC(CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CC(NC(=O)C1)COC(CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C29H28ClN3O3/c30-22-14-15-24-25(17-22)32-28(33(29(24)35)18-21-10-5-2-6-11-21)26(16-20-8-3-1-4-9-20)36-19-23-12-7-13-27(34)31-23/h1-6,8-11,14-15,17,23,26H,7,12-13,16,18-19H2,(H,31,34)