N-(4-azanylcyclohexyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-3-(3-methylphenyl)carbonyl-imidazolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(1,3-benzodioxol-5-ylcarbonyl)-3-(3-methylphenyl)carbonyl-imidazolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(1,3-benzodioxole-5-carbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-[(3-methylphenyl)-oxomethyl]-2-imidazolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(1,3-benzodioxole-5-carbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-m-toluoyl-3-piperonyloyl-imidazolidine-2-carboxamide Formula: C26H30N4O5 MolecularWeight: 478.5402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H30N4O5/c1-16-3-2-4-17(13-16)25(32)29-11-12-30(24(29)23(31)28-20-8-6-19(27)7-9-20)26(33)18-5-10-21-22(14-18)35-15-34-21/h2-5,10,13-14,19-20,24H,6-9,11-12,15,27H2,1H3,(H,28,31)