N-(2-methylpropyl)-N-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(2-methylpropyl)-N-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(1-benzylbenzimidazol-2-yl)methyl]-N-isobutyl-1,3-benzodioxole-5-carboxamide CAS Name: N-(2-methylpropyl)-N-[[1-(phenylmethyl)-2-benzimidazolyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(1-benzylbenzimidazol-2-yl)methyl]-N-isobutyl-piperonylamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=NC2=CC=CC=C2N1CC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)CN(CC1=NC2=CC=CC=C2N1CC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H27N3O3/c1-19(2)15-29(27(31)21-12-13-24-25(14-21)33-18-32-24)17-26-28-22-10-6-7-11-23(22)30(26)16-20-8-4-3-5-9-20/h3-14,19H,15-18H2,1-2H3