4-[[2-methyl-3-(5-methyl-1-phenyl-pyrazol-3-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-methyl-3-(5-methyl-1-phenyl-pyrazol-3-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl]oxymethyl]benzenecarbonitrile Openeye Name: 4-[[2-methyl-3-(5-methyl-1-phenyl-pyrazol-3-yl)-4-oxo-pyrido[1,2-a]pyrimidin-9-yl]oxymethyl]benzonitrile CAS Name: 4-[[2-methyl-3-(5-methyl-1-phenyl-3-pyrazolyl)-4-oxo-9-pyrido[1,2-a]pyrimidinyl]oxymethyl]benzonitrile IUPAC Name: 4-[[2-methyl-3-(5-methyl-1-phenylpyrazol-3-yl)-4-oxopyrido[1,2-a]pyrimidin-9-yl]oxymethyl]benzonitrile Traditional Name: 4-[[4-keto-2-methyl-3-(5-methyl-1-phenyl-pyrazol-3-yl)pyrido[1,2-a]pyrimidin-9-yl]oxymethyl]benzonitrile Formula: C27H21N5O2 MolecularWeight: 447.48794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC=C2)C3=C(N=C4C(=CC=CN4C3=O)OCC5=CC=C(C=C5)C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2)C3=C(N=C4C(=CC=CN4C3=O)OCC5=CC=C(C=C5)C#N)C

InChI

InChI=1S/C27H21N5O2/c1-18-15-23(30-32(18)22-7-4-3-5-8-22)25-19(2)29-26-24(9-6-14-31(26)27(25)33)34-17-21-12-10-20(16-28)11-13-21/h3-15H,17H2,1-2H3