2-[[3-azanyl-2-(5-methoxy-2-methyl-4-phenoxy-phenyl)-4-oxidanylidene-1H-pyrazolo[4,3-c]quinolin-7-yl]oxy]ethanenitrile

Systemtic Name: 2-[[3-azanyl-2-(5-methoxy-2-methyl-4-phenoxy-phenyl)-4-oxidanylidene-1H-pyrazolo[4,3-c]quinolin-7-yl]oxy]ethanenitrile Openeye Name: 2-[[3-amino-2-(5-methoxy-2-methyl-4-phenoxy-phenyl)-4-oxo-1H-pyrazolo[4,3-c]quinolin-7-yl]oxy]acetonitrile CAS Name: 2-[[3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-4-oxo-1H-pyrazolo[4,3-c]quinolin-7-yl]oxy]acetonitrile IUPAC Name: 2-[[3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-4-oxo-1H-pyrazolo[4,3-c]quinolin-7-yl]oxy]acetonitrile Traditional Name: 2-[[3-amino-4-keto-2-(5-methoxy-2-methyl-4-phenoxy-phenyl)-1H-pyrazolo[4,3-c]quinolin-7-yl]oxy]acetonitrile Formula: C26H21N5O4 MolecularWeight: 467.47604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N2C(=C3C(=C4C=CC(=CC4=NC3=O)OCC#N)N2)N)OC)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1N2C(=C3C(=C4C=CC(=CC4=NC3=O)OCC#N)N2)N)OC)OC5=CC=CC=C5

InChI

InChI=1S/C26H21N5O4/c1-15-12-22(35-16-6-4-3-5-7-16)21(33-2)14-20(15)31-25(28)23-24(30-31)18-9-8-17(34-11-10-27)13-19(18)29-26(23)32/h3-9,12-14,30H,11,28H2,1-2H3