(3,4-dimethoxy-5-prop-2-enyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3,4-dimethoxy-5-prop-2-enyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-allyl-4,5-dimethoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxy-5-prop-2-enylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-allyl-4,5-dimethoxy-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H24N4O3 MolecularWeight: 368.42956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CC=C)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)CC=C)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H24N4O3/c1-4-6-15-13-16(14-17(26-2)18(15)27-3)19(25)23-9-11-24(12-10-23)20-21-7-5-8-22-20/h4-5,7-8,13-14H,1,6,9-12H2,2-3H3