N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-isopentyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[(1-cyclohexyl-2-benzimidazolyl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-isoamyl-piperonylamide Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=NC2=CC=CC=C2N1C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)CCN(CC1=NC2=CC=CC=C2N1C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H33N3O3/c1-19(2)14-15-29(27(31)20-12-13-24-25(16-20)33-18-32-24)17-26-28-22-10-6-7-11-23(22)30(26)21-8-4-3-5-9-21/h6-7,10-13,16,19,21H,3-5,8-9,14-15,17-18H2,1-2H3