N-[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-1-cyclohexyl-2-pyridin-2-yl-benzimidazole-5-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-1-cyclohexyl-2-pyridin-2-yl-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carboxamide CAS Name: N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-cyclohexyl-2-(2-pyridinyl)-5-benzimidazolecarboxamide IUPAC Name: N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]-1-cyclohexyl-2-(2-pyridyl)benzimidazole-5-carboxamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)N)N=C2C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N)N=C2C5=CC=CC=N5

InChI

InChI=1S/C28H29N5O3/c29-26(35)24(16-18-9-12-21(34)13-10-18)32-28(36)19-11-14-25-23(17-19)31-27(22-8-4-5-15-30-22)33(25)20-6-2-1-3-7-20/h4-5,8-15,17,20,24,34H,1-3,6-7,16H2,(H2,29,35)(H,32,36)/t24-/m0/s1