N-[(1R,3S)-1,3-bis(benzotriazol-1-yl)-3-phenyl-propyl]methanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(NC=O)N2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C[C@H](NC=O)N2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

InChI

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