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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-phenylethanoyl(pyridin-3-ylmethyl)amino]cyclopentane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(2-phenylacetyl)-(3-pyridylmethyl)amino]cyclopentanecarboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(1-oxo-2-phenylethyl)-(3-pyridinylmethyl)amino]-1-cyclopentanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]cyclopentane-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(2-phenylacetyl)-(3-pyridylmethyl)amino]cyclopentanecarboxamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=CN=CC=C4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=CN=CC=C4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O4/c31-25(15-20-7-2-1-3-8-20)30(18-21-9-6-14-28-17-21)27(12-4-5-13-27)26(32)29-22-10-11-23-24(16-22)34-19-33-23/h1-3,6-11,14,16-17H,4-5,12-13,15,18-19H2,(H,29,32)