N-[1,2-bis(benzotriazol-1-yl)-2-[(4-methylphenyl)carbonylamino]ethyl]-4-methyl-benzamide

Systemtic Name: N-[1,2-bis(benzotriazol-1-yl)-2-[(4-methylphenyl)carbonylamino]ethyl]-4-methyl-benzamide Openeye Name: N-[1,2-bis(benzotriazol-1-yl)-2-[(4-methylbenzoyl)amino]ethyl]-4-methyl-benzamide CAS Name: N-[1,2-bis(1-benzotriazolyl)-2-[[(4-methylphenyl)-oxomethyl]amino]ethyl]-4-methylbenzamide IUPAC Name: N-[1,2-bis(benzotriazol-1-yl)-2-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide Traditional Name: N-[1,2-bis(benzotriazol-1-yl)-2-(p-toluoylamino)ethyl]-4-methyl-benzamide Formula: C30H26N8O2 MolecularWeight: 530.57984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(NC(=O)C2=CC=C(C=C2)C)N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(NC(=O)C2=CC=C(C=C2)C)N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C30H26N8O2/c1-19-11-15-21(16-12-19)29(39)31-27(37-25-9-5-3-7-23(25)33-35-37)28(32-30(40)22-17-13-20(2)14-18-22)38-26-10-6-4-8-24(26)34-36-38/h3-18,27-28H,1-2H3,(H,31,39)(H,32,40)