2,2-diethyl-4-oxidanylidene-4-[[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]amino]butanoate

Systemtic Name: 2,2-diethyl-4-oxidanylidene-4-[[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]amino]butanoate Openeye Name: 2,2-diethyl-4-oxo-4-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]butanoate CAS Name: 2,2-diethyl-4-oxo-4-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]butanoate IUPAC Name: 2,2-diethyl-4-oxo-4-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]butanoate Traditional Name: 2,2-diethyl-4-keto-4-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)anilino]butyrate Formula: C21H27N4O3- MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC=CC(=C1)C2=NN=C3N2CCCCC3)C(=O)[O-]

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC=CC(=C1)C2=NN=C3N2CCCCC3)C(=O)[O-]

InChI

InChI=1S/C21H28N4O3/c1-3-21(4-2,20(27)28)14-18(26)22-16-10-8-9-15(13-16)19-24-23-17-11-6-5-7-12-25(17)19/h8-10,13H,3-7,11-12,14H2,1-2H3,(H,22,26)(H,27,28)/p-1