4-[[3-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylphenyl]methyl]-7-methyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[[3-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylphenyl]methyl]-7-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one CAS Name: 4-[[3-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one Traditional Name: 7-methyl-4-[3-(4-o-phenetylpiperazine-1-carbonyl)benzyl]-1,4-benzoxazin-3-one Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)COC5=C4C=CC(=C5)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)COC5=C4C=CC(=C5)C

InChI

InChI=1S/C29H31N3O4/c1-3-35-26-10-5-4-9-24(26)30-13-15-31(16-14-30)29(34)23-8-6-7-22(18-23)19-32-25-12-11-21(2)17-27(25)36-20-28(32)33/h4-12,17-18H,3,13-16,19-20H2,1-2H3