N-(1,3-benzodioxol-5-yl)-1-[2-(benzotriazol-1-yl)ethanoyl-(phenylmethyl)amino]cyclopentane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(benzotriazol-1-yl)ethanoyl-(phenylmethyl)amino]cyclopentane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]cyclopentanecarboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(1-benzotriazolyl)-1-oxoethyl]-(phenylmethyl)amino]-1-cyclopentanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]cyclopentane-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]cyclopentanecarboxamide Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=CC=CC=C4)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(C1)(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=CC=CC=C4)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C28H27N5O4/c34-26(18-33-23-11-5-4-10-22(23)30-31-33)32(17-20-8-2-1-3-9-20)28(14-6-7-15-28)27(35)29-21-12-13-24-25(16-21)37-19-36-24/h1-5,8-13,16H,6-7,14-15,17-19H2,(H,29,35)