2-[[4-[(2-chloranyl-5-propan-2-yloxy-phenyl)methyl]piperidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[[4-[(2-chloranyl-5-propan-2-yloxy-phenyl)methyl]piperidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[[4-[(2-chloro-5-isopropoxy-phenyl)methyl]-1-piperidyl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]-1-piperidinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[[4-(2-chloro-5-isopropoxy-benzyl)piperidino]methyl]-4H-1,4-benzoxazin-3-one Formula: C24H29ClN2O3 MolecularWeight: 428.95166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)Cl)CC2CCN(CC2)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)Cl)CC2CCN(CC2)CC3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C24H29ClN2O3/c1-16(2)29-19-7-8-20(25)18(14-19)13-17-9-11-27(12-10-17)15-23-24(28)26-21-5-3-4-6-22(21)30-23/h3-8,14,16-17,23H,9-13,15H2,1-2H3,(H,26,28)