1-butyl-5-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3-ethoxyphenyl)methyl]amino]methyl]-4-phenyl-imidazole-2-carbonitrile

Systemtic Name: 1-butyl-5-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3-ethoxyphenyl)methyl]amino]methyl]-4-phenyl-imidazole-2-carbonitrile Openeye Name: 1-butyl-5-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3-ethoxyphenyl)methyl]amino]methyl]-4-phenyl-imidazole-2-carbonitrile CAS Name: 1-butyl-5-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3-ethoxyphenyl)methyl]amino]methyl]-4-phenyl-2-imidazolecarbonitrile IUPAC Name: 1-butyl-5-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3-ethoxyphenyl)methyl]amino]methyl]-4-phenylimidazole-2-carbonitrile Traditional Name: 1-butyl-5-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(3-ethoxybenzyl)amino]methyl]-4-phenyl-imidazole-2-carbonitrile Formula: C33H36N4O3 MolecularWeight: 536.66394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1C#N)C2=CC=CC=C2)CN(CC3=CC(=CC=C3)OCC)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCCCN1C(=C(N=C1C#N)C2=CC=CC=C2)CN(CC3=CC(=CC=C3)OCC)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C33H36N4O3/c1-3-5-16-37-29(33(35-32(37)21-34)27-11-7-6-8-12-27)24-36(22-25-10-9-13-28(19-25)38-4-2)23-26-14-15-30-31(20-26)40-18-17-39-30/h6-15,19-20H,3-5,16-18,22-24H2,1-2H3