[4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone

Systemtic Name: [4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone CAS Name: [4-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-1-piperazinyl]-(2-methoxyphenyl)methanone IUPAC Name: [4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone Traditional Name: [4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazino]-(2-methoxyphenyl)methanone Formula: C23H22N4O4 MolecularWeight: 418.44518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N4O4/c1-29-19-5-3-2-4-17(19)22(28)26-10-12-27(13-11-26)23-24-9-8-18(25-23)16-6-7-20-21(14-16)31-15-30-20/h2-9,14H,10-13,15H2,1H3