3-(cyclohexylcarbamoylamino)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(cyclohexylcarbamoylamino)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(cyclohexylcarbamoylamino)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[[(cyclohexylamino)-oxomethyl]amino]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(cyclohexylcarbamoylamino)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(cyclohexylcarbamoylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]propionamide Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C20H28N6O2/c27-19(10-11-22-20(28)25-18-4-2-1-3-5-18)23-12-16-6-8-17(9-7-16)13-26-15-21-14-24-26/h6-9,14-15,18H,1-5,10-13H2,(H,23,27)(H2,22,25,28)