benzotriazol-1-yl 4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[4-(4-morpholinophenyl)piperazin-1-yl]benzoate CAS Name: 4-[4-[4-(4-morpholinyl)phenyl]-1-piperazinyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]benzoate Traditional Name: 4-[4-(4-morpholinophenyl)piperazino]benzoic acid benzotriazol-1-yl ester Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)ON3C4=CC=CC=C4N=N3)C5=CC=C(C=C5)N6CCOCC6

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)ON3C4=CC=CC=C4N=N3)C5=CC=C(C=C5)N6CCOCC6

InChI

InChI=1S/C27H28N6O3/c34-27(36-33-26-4-2-1-3-25(26)28-29-33)21-5-7-22(8-6-21)30-13-15-31(16-14-30)23-9-11-24(12-10-23)32-17-19-35-20-18-32/h1-12H,13-20H2