2-[4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazino]pyrimidine Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)CN3CCN(CC3)C4=NC=CC=N4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)CN3CCN(CC3)C4=NC=CC=N4)OC)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4O2/c1-18-24(19-7-4-3-5-8-19)21-16-22(30-2)20(15-23(21)31-18)17-28-11-13-29(14-12-28)25-26-9-6-10-27-25/h3-10,15-16H,11-14,17H2,1-2H3