N1,N3-bis[[3-(benzotriazol-2-yl)-5-butan-2-yl-2-oxidanyl-phenyl]methyl]benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[[3-(benzotriazol-2-yl)-5-butan-2-yl-2-oxidanyl-phenyl]methyl]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[[3-(benzotriazol-2-yl)-2-hydroxy-5-sec-butyl-phenyl]methyl]benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[[3-(2-benzotriazolyl)-5-butan-2-yl-2-hydroxyphenyl]methyl]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[[3-(benzotriazol-2-yl)-5-butan-2-yl-2-hydroxyphenyl]methyl]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[3-(benzotriazol-2-yl)-2-hydroxy-5-sec-butyl-benzyl]isophthalamide Formula: C42H42N8O4 MolecularWeight: 722.83408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CNC(=O)C4=CC(=CC=C4)C(=O)NCC5=C(C(=CC(=C5)C(C)CC)N6N=C7C=CC=CC7=N6)O

Isomeric SMILES

CCC(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CNC(=O)C4=CC(=CC=C4)C(=O)NCC5=C(C(=CC(=C5)C(C)CC)N6N=C7C=CC=CC7=N6)O

InChI

InChI=1S/C42H42N8O4/c1-5-25(3)29-19-31(39(51)37(21-29)49-45-33-14-7-8-15-34(33)46-49)23-43-41(53)27-12-11-13-28(18-27)42(54)44-24-32-20-30(26(4)6-2)22-38(40(32)52)50-47-35-16-9-10-17-36(35)48-50/h7-22,25-26,51-52H,5-6,23-24H2,1-4H3,(H,43,53)(H,44,54)