N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]cyclohexanecarboxamide CAS Name: N-[4-[[3-(1-benzotriazolyl)-1-oxopropyl]amino]-2,5-diethoxyphenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxyphenyl]cyclohexanecarboxamide Traditional Name: N-[4-[3-(benzotriazol-1-yl)propanoylamino]-2,5-diethoxy-phenyl]cyclohexanecarboxamide Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2CCCCC2)OCC)NC(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2CCCCC2)OCC)NC(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C26H33N5O4/c1-3-34-23-17-21(28-26(33)18-10-6-5-7-11-18)24(35-4-2)16-20(23)27-25(32)14-15-31-22-13-9-8-12-19(22)29-30-31/h8-9,12-13,16-18H,3-7,10-11,14-15H2,1-2H3,(H,27,32)(H,28,33)