5-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-N,1-diphenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-N,1-diphenyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-[3-(azepan-1-yl)-2-hydroxy-propoxy]-N,1-diphenyl-triazole-4-carboxamide CAS Name: 5-[3-(1-azepanyl)-2-hydroxypropoxy]-N,1-diphenyl-4-triazolecarboxamide IUPAC Name: 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-N,1-diphenyltriazole-4-carboxamide Traditional Name: 5-[3-(azepan-1-yl)-2-hydroxy-propoxy]-N,1-diphenyl-triazole-4-carboxamide Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=C(N=NN2C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)O

Isomeric SMILES

C1CCCN(CC1)CC(COC2=C(N=NN2C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)O

InChI

InChI=1S/C24H29N5O3/c30-21(17-28-15-9-1-2-10-16-28)18-32-24-22(23(31)25-19-11-5-3-6-12-19)26-27-29(24)20-13-7-4-8-14-20/h3-8,11-14,21,30H,1-2,9-10,15-18H2,(H,25,31)