[3-[4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl]carbonyl-2-methyl-phenyl] ethanoate

Systemtic Name: [3-[4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl]carbonyl-2-methyl-phenyl] ethanoate Openeye Name: [3-[4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazine-1-carbonyl]-2-methyl-phenyl] acetate CAS Name: acetic acid [3-[[4-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-1-piperazinyl]-oxomethyl]-2-methylphenyl] ester IUPAC Name: [3-[4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazine-1-carbonyl]-2-methylphenyl] acetate Traditional Name: acetic acid [3-[4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazine-1-carbonyl]-2-methyl-phenyl] ester Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC(=O)C)C(=O)N2CCN(CC2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=CC=C1OC(=O)C)C(=O)N2CCN(CC2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N4O5/c1-16-19(4-3-5-21(16)34-17(2)30)24(31)28-10-12-29(13-11-28)25-26-9-8-20(27-25)18-6-7-22-23(14-18)33-15-32-22/h3-9,14H,10-13,15H2,1-2H3