(1-oxidanylidene-1-phenylazanyl-butan-2-yl) 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-(phenylcarbamoyl)propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-(phenylcarbamoyl)propyl ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C23H20N4O3/c1-2-20(22(28)25-17-8-4-3-5-9-17)30-23(29)15-10-11-18-19(13-15)27-21(26-18)16-7-6-12-24-14-16/h3-14,20H,2H2,1H3,(H,25,28)(H,26,27)