ethyl 4-[4-(benzotriazol-1-ylmethyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(benzotriazol-1-ylmethyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

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