N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]thiophene-2-carboxamide Openeye Name: N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]thiophene-2-carboxamide CAS Name: N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]thiophene-2-carboxamide Traditional Name: N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)ethyl]thiophene-2-carboxamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

InChI

InChI=1S/C22H23N5OS/c28-22(19-9-6-12-29-19)24-18(13-15-14-23-17-8-4-3-7-16(15)17)21-26-25-20-10-2-1-5-11-27(20)21/h3-4,6-9,12,14,18,23H,1-2,5,10-11,13H2,(H,24,28)