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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2CN(C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2CN(C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

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