4-[[3-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[[3-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 4-[[3-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-(4-o-phenetylpiperazine-1-carbonyl)benzyl]-1,4-benzoxazin-3-one Formula: C28H29N3O4 MolecularWeight: 471.54756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)COC5=CC=CC=C54

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)COC5=CC=CC=C54

InChI

InChI=1S/C28H29N3O4/c1-2-34-25-12-5-3-10-23(25)29-14-16-30(17-15-29)28(33)22-9-7-8-21(18-22)19-31-24-11-4-6-13-26(24)35-20-27(31)32/h3-13,18H,2,14-17,19-20H2,1H3