N-[[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl]methyl]-4-ethynyl-aniline

Systemtic Name: N-[[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl]methyl]-4-ethynyl-aniline Openeye Name: N-[[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridyl)-1H-imidazol-2-yl]methyl]-4-ethynyl-aniline CAS Name: N-[[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-ethynylaniline IUPAC Name: N-[[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl]methyl]-4-ethynylaniline Traditional Name: [4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridyl)-1H-imidazol-2-yl]methyl-(4-ethynylphenyl)amine Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=C(N=C(N2)CNC3=CC=C(C=C3)C#C)C4=CC=C5C(C4)OCO5

Isomeric SMILES

CC1=CC=CC(=N1)C2=C(N=C(N2)CNC3=CC=C(C=C3)C#C)C4=CC=C5C(C4)OCO5

InChI

InChI=1S/C25H22N4O2/c1-3-17-7-10-19(11-8-17)26-14-23-28-24(18-9-12-21-22(13-18)31-15-30-21)25(29-23)20-6-4-5-16(2)27-20/h1,4-12,22,26H,13-15H2,2H3,(H,28,29)