N-(1-azanyl-1-oxidanylidene-3-phenylazanyl-propan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-phenylazanyl-propan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-amino-1-(anilinomethyl)-2-oxo-ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: N-(1-amino-3-anilino-1-oxopropan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide IUPAC Name: N-(1-amino-3-anilino-1-oxopropan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-amino-1-(anilinomethyl)-2-keto-ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCC(C(=O)N)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)NCC(C(=O)N)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C22H20N6O2/c23-20(29)19(13-25-16-4-2-1-3-5-16)28-22(30)15-6-7-17-18(12-15)27-21(26-17)14-8-10-24-11-9-14/h1-12,19,25H,13H2,(H2,23,29)(H,26,27)(H,28,30)