[1-(naphthalen-1-ylamino)-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-(naphthalen-1-ylamino)-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-(1-naphthylcarbamoyl)propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(1-naphthalenylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(naphthalen-1-ylamino)-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-(1-naphthylcarbamoyl)propyl ester Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CN=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CN=CC=C5

InChI

InChI=1S/C27H22N4O3/c1-2-24(26(32)31-21-11-5-8-17-7-3-4-10-20(17)21)34-27(33)18-12-13-22-23(15-18)30-25(29-22)19-9-6-14-28-16-19/h3-16,24H,2H2,1H3,(H,29,30)(H,31,32)