N-[(1S,2R)-2-[[(1S)-1-cyano-3-methyl-butyl]carbamoyl]cyclohexyl]-4-pyridin-3-yl-benzamide

Systemtic Name: N-[(1S,2R)-2-[[(1S)-1-cyano-3-methyl-butyl]carbamoyl]cyclohexyl]-4-pyridin-3-yl-benzamide Openeye Name: N-[(1S,2R)-2-[[(1S)-1-cyano-3-methyl-butyl]carbamoyl]cyclohexyl]-4-(3-pyridyl)benzamide CAS Name: N-[(1S,2R)-2-[[[(1S)-1-cyano-3-methylbutyl]amino]-oxomethyl]cyclohexyl]-4-(3-pyridinyl)benzamide IUPAC Name: N-[(1S,2R)-2-[[(1S)-1-cyano-3-methylbutyl]carbamoyl]cyclohexyl]-4-pyridin-3-ylbenzamide Traditional Name: N-[(1S,2R)-2-[[(1S)-1-cyano-3-methyl-butyl]carbamoyl]cyclohexyl]-4-(3-pyridyl)benzamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C#N)NC(=O)C1CCCCC1NC(=O)C2=CC=C(C=C2)C3=CN=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C2=CC=C(C=C2)C3=CN=CC=C3

InChI

InChI=1S/C25H30N4O2/c1-17(2)14-21(15-26)28-25(31)22-7-3-4-8-23(22)29-24(30)19-11-9-18(10-12-19)20-6-5-13-27-16-20/h5-6,9-13,16-17,21-23H,3-4,7-8,14H2,1-2H3,(H,28,31)(H,29,30)/t21-,22+,23-/m0/s1