3-(1,3-benzodioxol-5-yl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methoxymethyl]benzenecarbonitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methoxymethyl]benzenecarbonitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methoxymethyl]benzonitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methoxymethyl]benzonitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methoxymethyl]benzonitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-[[3-(4-cyanobenzyl)imidazol-4-yl]methoxymethyl]benzonitrile Formula: C27H20N4O3 MolecularWeight: 448.4727

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)C#N)COCC4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)C#N)COCC4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H20N4O3/c28-11-19-1-3-20(4-2-19)14-31-17-30-13-24(31)16-32-15-23-6-5-21(12-29)9-25(23)22-7-8-26-27(10-22)34-18-33-26/h1-10,13,17H,14-16,18H2