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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]cyclohexanecarboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-1-cyclohexanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]cyclohexane-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]cyclohexanecarboxamide Formula: C28H28N6O4 MolecularWeight: 512.55972

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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)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=CN=CC=C4)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C28H28N6O4/c35-26(18-34-23-9-3-2-8-22(23)31-32-34)33(17-20-7-6-14-29-16-20)28(12-4-1-5-13-28)27(36)30-21-10-11-24-25(15-21)38-19-37-24/h2-3,6-11,14-16H,1,4-5,12-13,17-19H2,(H,30,36)