4-[[6-oxidanyl-3-oxidanylidene-2,4,5-tris(phenylmethyl)-1,2,4-triazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[6-oxidanyl-3-oxidanylidene-2,4,5-tris(phenylmethyl)-1,2,4-triazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(2,4,5-tribenzyl-6-hydroxy-3-oxo-1,2,4-triazepan-1-yl)methyl]benzonitrile CAS Name: 4-[[6-hydroxy-3-oxo-2,4,5-tris(phenylmethyl)-1,2,4-triazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[(2,4,5-tribenzyl-6-hydroxy-3-oxo-1,2,4-triazepan-1-yl)methyl]benzonitrile Traditional Name: 4-[(2,4,5-tribenzyl-6-hydroxy-3-keto-1,2,4-triazepan-1-yl)methyl]benzonitrile Formula: C33H32N4O2 MolecularWeight: 516.63278

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N(C(=O)N(N1CC2=CC=C(C=C2)C#N)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)O

Isomeric SMILES

C1C(C(N(C(=O)N(N1CC2=CC=C(C=C2)C#N)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)O

InChI

InChI=1S/C33H32N4O2/c34-21-27-16-18-30(19-17-27)22-35-25-32(38)31(20-26-10-4-1-5-11-26)36(23-28-12-6-2-7-13-28)33(39)37(35)24-29-14-8-3-9-15-29/h1-19,31-32,38H,20,22-25H2