N-[cyano(cyclopropyl)methyl]-2-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide

Systemtic Name: N-[cyano(cyclopropyl)methyl]-2-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide Openeye Name: N-[cyano(cyclopropyl)methyl]-2-[3-(3-methoxyphenyl)propanoylamino]cyclohexanecarboxamide CAS Name: N-[cyano(cyclopropyl)methyl]-2-[[3-(3-methoxyphenyl)-1-oxopropyl]amino]-1-cyclohexanecarboxamide IUPAC Name: N-[cyano(cyclopropyl)methyl]-2-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide Traditional Name: N-[cyano(cyclopropyl)methyl]-2-[3-(3-methoxyphenyl)propanoylamino]cyclohexanecarboxamide Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(=O)NC2CCCCC2C(=O)NC(C#N)C3CC3

Isomeric SMILES

COC1=CC=CC(=C1)CCC(=O)NC2CCCCC2C(=O)NC(C#N)C3CC3

InChI

InChI=1S/C22H29N3O3/c1-28-17-6-4-5-15(13-17)9-12-21(26)24-19-8-3-2-7-18(19)22(27)25-20(14-23)16-10-11-16/h4-6,13,16,18-20H,2-3,7-12H2,1H3,(H,24,26)(H,25,27)