N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide; (2-imidazol-1-yl-1-oxidanyl-1-phosphono-ethyl)phosphonic acid

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide; (2-imidazol-1-yl-1-oxidanyl-1-phosphono-ethyl)phosphonic acid Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(1-propyl-4-piperidyl)benzamide; (1-hydroxy-2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(1-propyl-4-piperidinyl)benzamide; [1-hydroxy-2-(1-imidazolyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(1-propylpiperidin-4-yl)benzamide; (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(1-propyl-4-piperidyl)benzamide; (1-hydroxy-2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid Formula: C29H44N6O9P2 MolecularWeight: 682.641982

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N.C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCN1CCC(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N.C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C24H34N4O2.C5H10N2O7P2/c1-2-16-28-17-10-20(11-18-28)19-6-8-21(9-7-19)22(29)27-24(12-4-3-5-13-24)23(30)26-15-14-25;8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h6-9,20H,2-5,10-13,15-18H2,1H3,(H,26,30)(H,27,29);1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)