[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)N=N1

InChI

InChI=1S/C21H23N5O3/c1-2-26-19-9-8-16(14-18(19)22-23-26)21(28)29-15-20(27)25-12-10-24(11-13-25)17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3