methyl 3-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-oxo-2-[4-(1-piperidyl)anilino]ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-oxo-2-[4-(1-piperidinyl)anilino]ethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-keto-2-(4-piperidinoanilino)ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C21H23N5O4/c1-29-21(28)15-5-10-18-19(13-15)26(24-23-18)30-14-20(27)22-16-6-8-17(9-7-16)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,27)