N-[(1S)-1,3-bis(benzotriazol-1-yl)propyl]benzamide

Systemtic Name: N-[(1S)-1,3-bis(benzotriazol-1-yl)propyl]benzamide Openeye Name: N-[(1S)-1,3-bis(benzotriazol-1-yl)propyl]benzamide CAS Name: N-[(1S)-1,3-bis(1-benzotriazolyl)propyl]benzamide IUPAC Name: N-[(1S)-1,3-bis(benzotriazol-1-yl)propyl]benzamide Traditional Name: N-[(1S)-1,3-bis(benzotriazol-1-yl)propyl]benzamide Formula: C22H19N7O MolecularWeight: 397.43256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCN2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@H](CCN2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H19N7O/c30-22(16-8-2-1-3-9-16)23-21(29-20-13-7-5-11-18(20)25-27-29)14-15-28-19-12-6-4-10-17(19)24-26-28/h1-13,21H,14-15H2,(H,23,30)/t21-/m0/s1