2-[3-[(4-methoxyphenyl)methyl]-6-(4-methyl-5-pyridin-2-yl-pyridin-3-yl)-3H-isoindol-1-yl]-1H-benzimidazole

Systemtic Name: 2-[3-[(4-methoxyphenyl)methyl]-6-(4-methyl-5-pyridin-2-yl-pyridin-3-yl)-3H-isoindol-1-yl]-1H-benzimidazole Openeye Name: 2-[3-[(4-methoxyphenyl)methyl]-6-[4-methyl-5-(2-pyridyl)-3-pyridyl]-3H-isoindol-1-yl]-1H-benzimidazole CAS Name: 2-[3-[(4-methoxyphenyl)methyl]-6-[4-methyl-5-(2-pyridinyl)-3-pyridinyl]-3H-isoindol-1-yl]-1H-benzimidazole IUPAC Name: 2-[3-[(4-methoxyphenyl)methyl]-6-(4-methyl-5-pyridin-2-ylpyridin-3-yl)-3H-isoindol-1-yl]-1H-benzimidazole Traditional Name: 2-[6-[4-methyl-5-(2-pyridyl)-3-pyridyl]-3-p-anisyl-3H-isoindol-1-yl]-1H-benzimidazole Formula: C34H27N5O MolecularWeight: 521.61108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1C2=CC3=C(C=C2)C(N=C3C4=NC5=CC=CC=C5N4)CC6=CC=C(C=C6)OC)C7=CC=CC=N7

Isomeric SMILES

CC1=C(C=NC=C1C2=CC3=C(C=C2)C(N=C3C4=NC5=CC=CC=C5N4)CC6=CC=C(C=C6)OC)C7=CC=CC=N7

InChI

InChI=1S/C34H27N5O/c1-21-27(19-35-20-28(21)29-7-5-6-16-36-29)23-12-15-25-26(18-23)33(34-38-30-8-3-4-9-31(30)39-34)37-32(25)17-22-10-13-24(40-2)14-11-22/h3-16,18-20,32H,17H2,1-2H3,(H,38,39)