(3S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexyl-piperidin-1-yl]-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-piperazine-1-carboxamide

Systemtic Name: (3S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexyl-piperidin-1-yl]-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-piperazine-1-carboxamide Openeye Name: (3S)-N-[(1R)-2-[4-(tert-butylcarbamoyl)-4-cyclohexyl-1-piperidyl]-1-[(4-fluorophenyl)methyl]-2-oxo-ethyl]-3-methyl-piperazine-1-carboxamide CAS Name: (3S)-N-[(2R)-1-[4-[(tert-butylamino)-oxomethyl]-4-cyclohexyl-1-piperidinyl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3-methyl-1-piperazinecarboxamide IUPAC Name: (3S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3-methylpiperazine-1-carboxamide Traditional Name: (3S)-N-[(1R)-2-[4-(tert-butylcarbamoyl)-4-cyclohexyl-piperidino]-1-(4-fluorobenzyl)-2-keto-ethyl]-3-methyl-piperazine-1-carboxamide Formula: C31H48FN5O3 MolecularWeight: 557.742923

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=O)NC(CC2=CC=C(C=C2)F)C(=O)N3CCC(CC3)(C4CCCCC4)C(=O)NC(C)(C)C

Isomeric SMILES

C[C@H]1CN(CCN1)C(=O)N[C@H](CC2=CC=C(C=C2)F)C(=O)N3CCC(CC3)(C4CCCCC4)C(=O)NC(C)(C)C

InChI

InChI=1S/C31H48FN5O3/c1-22-21-37(19-16-33-22)29(40)34-26(20-23-10-12-25(32)13-11-23)27(38)36-17-14-31(15-18-36,24-8-6-5-7-9-24)28(39)35-30(2,3)4/h10-13,22,24,26,33H,5-9,14-21H2,1-4H3,(H,34,40)(H,35,39)/t22-,26+/m0/s1