1-[[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-yl-pyrrole-3-carbonitrile

Systemtic Name: 1-[[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-yl-pyrrole-3-carbonitrile Openeye Name: 1-[[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-(1-naphthyl)pyrrole-3-carbonitrile CAS Name: 1-[[3-(1,3-benzodioxol-5-ylmethyl)-4-imidazolyl]methyl]-4-(1-naphthalenyl)-3-pyrrolecarbonitrile IUPAC Name: 1-[[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrole-3-carbonitrile Traditional Name: 4-(1-naphthyl)-1-[(3-piperonylimidazol-4-yl)methyl]pyrrole-3-carbonitrile Formula: C27H20N4O2 MolecularWeight: 432.4733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=NC=C3CN4C=C(C(=C4)C5=CC=CC6=CC=CC=C65)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=NC=C3CN4C=C(C(=C4)C5=CC=CC6=CC=CC=C65)C#N

InChI

InChI=1S/C27H20N4O2/c28-11-21-14-30(16-25(21)24-7-3-5-20-4-1-2-6-23(20)24)15-22-12-29-17-31(22)13-19-8-9-26-27(10-19)33-18-32-26/h1-10,12,14,16-17H,13,15,18H2