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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(benzotriazol-1-yl)ethanoyl-(phenylmethyl)amino]cyclohexane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]cyclohexanecarboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(1-benzotriazolyl)-1-oxoethyl]-(phenylmethyl)amino]-1-cyclohexanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]cyclohexane-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]cyclohexanecarboxamide Formula: C29H29N5O4 MolecularWeight: 511.57166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N5O4/c35-27(19-34-24-12-6-5-11-23(24)31-32-34)33(18-21-9-3-1-4-10-21)29(15-7-2-8-16-29)28(36)30-22-13-14-25-26(17-22)38-20-37-25/h1,3-6,9-14,17H,2,7-8,15-16,18-20H2,(H,30,36)