N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-3-[(1-methylpyrazol-3-yl)methyl]-2-oxidanylidene-benzimidazole-1-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-3-[(1-methylpyrazol-3-yl)methyl]-2-oxidanylidene-benzimidazole-1-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-3-[(1-methylpyrazol-3-yl)methyl]-2-oxo-benzimidazole-1-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-[(1-methyl-3-pyrazolyl)methyl]-2-oxo-1-benzimidazolecarboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-[(1-methylpyrazol-3-yl)methyl]-2-oxobenzimidazole-1-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-keto-3-[(1-methylpyrazol-3-yl)methyl]benzimidazole-1-carboxamide Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)CN2C3=CC=CC=C3N(C2=O)C(=O)NC(CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CN1C=CC(=N1)CN2C3=CC=CC=C3N(C2=O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C22H22N6O3/c1-26-12-11-16(25-26)14-27-18-9-5-6-10-19(18)28(22(27)31)21(30)24-17(20(23)29)13-15-7-3-2-4-8-15/h2-12,17H,13-14H2,1H3,(H2,23,29)(H,24,30)/t17-/m0/s1