6-(2-methylbutan-2-yl)-4-[4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-(2-methylbutan-2-yl)-4-[4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butyl]-1,4-benzoxazin-3-one Openeye Name: 4-[4-(4-benzyl-1-piperidyl)-4-oxo-butyl]-6-(1,1-dimethylpropyl)-1,4-benzoxazin-3-one CAS Name: 6-(2-methylbutan-2-yl)-4-[4-oxo-4-[4-(phenylmethyl)-1-piperidinyl]butyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one Traditional Name: 6-tert-amyl-4-[4-(4-benzylpiperidino)-4-keto-butyl]-1,4-benzoxazin-3-one Formula: C29H38N2O3 MolecularWeight: 462.62362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H38N2O3/c1-4-29(2,3)24-12-13-26-25(20-24)31(28(33)21-34-26)16-8-11-27(32)30-17-14-23(15-18-30)19-22-9-6-5-7-10-22/h5-7,9-10,12-13,20,23H,4,8,11,14-19,21H2,1-3H3