N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-cyclohexyl-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-cyclohexyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-piperonylamide Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H30N2O3/c1-20-8-5-6-9-22(20)17-28-15-7-12-24(28)18-29(23-10-3-2-4-11-23)27(30)21-13-14-25-26(16-21)32-19-31-25/h5-9,12-16,23H,2-4,10-11,17-19H2,1H3