2-[4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine

Systemtic Name: 2-[4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine Openeye Name: 2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine CAS Name: 2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazinyl]-4-(3-methylphenoxy)pyrimidine IUPAC Name: 2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine Traditional Name: 2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazino]-4-(3-methylphenoxy)pyrimidine Formula: C24H25FN4O3 MolecularWeight: 436.478703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)CC4=C5C(=CC(=C4)F)COCO5

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)CC4=C5C(=CC(=C4)F)COCO5

InChI

InChI=1S/C24H25FN4O3/c1-17-3-2-4-21(11-17)32-22-5-6-26-24(27-22)29-9-7-28(8-10-29)14-18-12-20(25)13-19-15-30-16-31-23(18)19/h2-6,11-13H,7-10,14-16H2,1H3