4-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-7-methyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-7-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one CAS Name: 4-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one Traditional Name: 7-methyl-4-[4-(4-piperonylpiperazine-1-carbonyl)benzyl]-1,4-benzoxazin-3-one Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H29N3O5/c1-20-2-8-24-26(14-20)35-18-28(33)32(24)17-21-3-6-23(7-4-21)29(34)31-12-10-30(11-13-31)16-22-5-9-25-27(15-22)37-19-36-25/h2-9,14-15H,10-13,16-19H2,1H3