N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo(thiophen-2-yl)methyl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]-1-(2-thenoyl)isonipecotamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)C4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)C4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H27N5O2S/c30-23(17-10-13-28(14-11-17)24(31)20-8-5-15-32-20)25-19-7-4-6-18(16-19)22-27-26-21-9-2-1-3-12-29(21)22/h4-8,15-17H,1-3,9-14H2,(H,25,30)