N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide

Systemtic Name: N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide Openeye Name: N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)-1-piperidyl]-2-oxo-ethyl]-3-[3-(1-piperidyl)propanoylamino]propanamide CAS Name: N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-1-oxopropan-2-yl]-3-[[1-oxo-3-(1-piperidinyl)propyl]amino]propanamide IUPAC Name: N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(3-piperidin-1-ylpropanoylamino)propanamide Traditional Name: N-[(1R)-1-(4-chlorobenzyl)-2-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidino]-2-keto-ethyl]-3-(3-piperidinopropanoylamino)propionamide Formula: C34H50ClN7O3 MolecularWeight: 640.2589

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2(CCN(CC2)C(=O)C(CC3=CC=C(C=C3)Cl)NC(=O)CCNC(=O)CCN4CCCCC4)CN5C=NC=N5

Isomeric SMILES

C1CCC(CC1)C2(CCN(CC2)C(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)CCNC(=O)CCN4CCCCC4)CN5C=NC=N5

InChI

InChI=1S/C34H50ClN7O3/c35-29-11-9-27(10-12-29)23-30(39-32(44)13-17-37-31(43)14-20-40-18-5-2-6-19-40)33(45)41-21-15-34(16-22-41,24-42-26-36-25-38-42)28-7-3-1-4-8-28/h9-12,25-26,28,30H,1-8,13-24H2,(H,37,43)(H,39,44)/t30-/m1/s1