[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-carbamoylphenyl)carbamoyl]propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(4-carbamoylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-[(4-carbamoylphenyl)carbamoyl]propyl ester Formula: C24H21N5O4 MolecularWeight: 443.45464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5O4/c1-2-20(23(31)27-17-8-5-14(6-9-17)21(25)30)33-24(32)15-7-10-18-19(12-15)29-22(28-18)16-4-3-11-26-13-16/h3-13,20H,2H2,1H3,(H2,25,30)(H,27,31)(H,28,29)