methyl 2-[4-(2H-benzotriazol-5-ylcarbonyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanoate

Systemtic Name: methyl 2-[4-(2H-benzotriazol-5-ylcarbonyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-2-(2-chlorophenyl)acetate CAS Name: 2-[4-[2H-benzotriazol-5-yl(oxo)methyl]-1-piperazinyl]-2-(2-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-2-(2-chlorophenyl)acetate Traditional Name: 2-[4-(2H-benzotriazole-5-carbonyl)piperazino]-2-(2-chlorophenyl)acetic acid methyl ester Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C20H20ClN5O3/c1-29-20(28)18(14-4-2-3-5-15(14)21)25-8-10-26(11-9-25)19(27)13-6-7-16-17(12-13)23-24-22-16/h2-7,12,18H,8-11H2,1H3,(H,22,23,24)