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

Systemtic Name: 4-oxidanylidene-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-4-thiophen-2-yl-butanamide Openeye Name: 4-oxo-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-4-(2-thienyl)butanamide CAS Name: 4-oxo-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-4-thiophen-2-ylbutanamide IUPAC Name: 4-oxo-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]-4-(2-thienyl)butyramide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O2S/c26-17(18-8-5-13-28-18)10-11-20(27)22-16-7-4-6-15(14-16)21-24-23-19-9-2-1-3-12-25(19)21/h4-8,13-14H,1-3,9-12H2,(H,22,27)