(Z)-4-(1-methylquinolin-2-ylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)but-2-enenitrile

Systemtic Name: (Z)-4-(1-methylquinolin-2-ylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)but-2-enenitrile Openeye Name: (Z)-4-(1-methyl-2-quinolylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)but-2-enenitrile CAS Name: (Z)-4-(1-methyl-2-quinolinylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-butenenitrile IUPAC Name: (Z)-4-(1-methylquinolin-2-ylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)but-2-enenitrile Traditional Name: (Z)-4-(1-methyl-2-quinolylidene)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)but-2-enenitrile Formula: C21H21N5 MolecularWeight: 343.42494

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C(C#N)C2=NN=C3N2CCCCC3)C=CC4=CC=CC=C41

Isomeric SMILES

CN1C(=C/C=C(/C#N)\C2=NN=C3N2CCCCC3)C=CC4=CC=CC=C41

InChI

InChI=1S/C21H21N5/c1-25-18(12-10-16-7-4-5-8-19(16)25)13-11-17(15-22)21-24-23-20-9-3-2-6-14-26(20)21/h4-5,7-8,10-13H,2-3,6,9,14H2,1H3/b17-11-,18-13?