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

Systemtic Name: 4-[[4-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylphenyl]methyl]-7-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one CAS Name: 4-[[4-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one Traditional Name: 7-methyl-4-[4-(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=C(C=C3)CN4C(=O)COC5=C4C=CC(=C5)C

Isomeric SMILES

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

InChI

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