N-[(1S,2R)-2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide

Systemtic Name: N-[(1S,2R)-2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide Openeye Name: N-[(1S,2R)-2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide CAS Name: N-[(1S,2R)-2-benzamido-1,2-bis(1-benzotriazolyl)ethyl]benzamide IUPAC Name: N-[(1S,2R)-2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide Traditional Name: N-[(1S,2R)-2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide Formula: C28H22N8O2 MolecularWeight: 502.52668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(C(NC(=O)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H]([C@@H](NC(=O)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C28H22N8O2/c37-27(19-11-3-1-4-12-19)29-25(35-23-17-9-7-15-21(23)31-33-35)26(30-28(38)20-13-5-2-6-14-20)36-24-18-10-8-16-22(24)32-34-36/h1-18,25-26H,(H,29,37)(H,30,38)/t25-,26+