N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(furan-2-ylcarbonyl)piperazine-1-carboxamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(furan-2-ylcarbonyl)piperazine-1-carboxamide Openeye Name: N-[(1S)-2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide CAS Name: N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-4-[2-furanyl(oxo)methyl]-1-piperazinecarboxamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide Traditional Name: N-[(1S)-2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-keto-ethyl]-4-(2-furoyl)piperazine-1-carboxamide Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)NCC#N)NC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C21H29N5O4/c22-8-9-23-19(27)17(15-16-5-2-1-3-6-16)24-21(29)26-12-10-25(11-13-26)20(28)18-7-4-14-30-18/h4,7,14,16-17H,1-3,5-6,9-13,15H2,(H,23,27)(H,24,29)/t17-/m0/s1