(E)-3-(3-nitro-4-propan-2-yl-phenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-nitro-4-propan-2-yl-phenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-isopropyl-3-nitro-phenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile CAS Name: (E)-3-(3-nitro-4-propan-2-ylphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-propenenitrile IUPAC Name: (E)-3-(3-nitro-4-propan-2-ylphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-isopropyl-3-nitro-phenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)acrylonitrile Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C(C#N)C2=NN=C3N2CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C(\C#N)/C2=NN=C3N2CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O2/c1-13(2)16-8-7-14(11-17(16)24(25)26)10-15(12-20)19-22-21-18-6-4-3-5-9-23(18)19/h7-8,10-11,13H,3-6,9H2,1-2H3/b15-10+