methyl 2-[(3-cyanophenyl)carbonylamino]-1-(3-methoxypropyl)benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[(3-cyanophenyl)carbonylamino]-1-(3-methoxypropyl)benzimidazole-5-carboxylate Openeye Name: methyl 2-[(3-cyanobenzoyl)amino]-1-(3-methoxypropyl)benzimidazole-5-carboxylate CAS Name: 2-[[(3-cyanophenyl)-oxomethyl]amino]-1-(3-methoxypropyl)-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-cyanobenzoyl)amino]-1-(3-methoxypropyl)benzimidazole-5-carboxylate Traditional Name: 2-[(3-cyanobenzoyl)amino]-1-(3-methoxypropyl)benzimidazole-5-carboxylic acid methyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(C=C(C=C2)C(=O)OC)N=C1NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COCCCN1C2=C(C=C(C=C2)C(=O)OC)N=C1NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H20N4O4/c1-28-10-4-9-25-18-8-7-16(20(27)29-2)12-17(18)23-21(25)24-19(26)15-6-3-5-14(11-15)13-22/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,23,24,26)