N-(1,3-benzodioxol-5-yl)-1-[2-phenylethanoyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-phenylethanoyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(2-phenylacetyl)-(3-pyridylmethyl)amino]cyclohexanecarboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(1-oxo-2-phenylethyl)-(3-pyridinylmethyl)amino]-1-cyclohexanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(2-phenylacetyl)-(3-pyridylmethyl)amino]cyclohexanecarboxamide Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=CN=CC=C4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=CN=CC=C4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O4/c32-26(16-21-8-3-1-4-9-21)31(19-22-10-7-15-29-18-22)28(13-5-2-6-14-28)27(33)30-23-11-12-24-25(17-23)35-20-34-24/h1,3-4,7-12,15,17-18H,2,5-6,13-14,16,19-20H2,(H,30,33)