5-[(5-butyl-2-oxidanylidene-5-phenyl-oxolan-3-yl)amino]-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-[(5-butyl-2-oxidanylidene-5-phenyl-oxolan-3-yl)amino]-1H-pyrazole-4-carbonitrile Openeye Name: 5-[(5-butyl-2-oxo-5-phenyl-tetrahydrofuran-3-yl)amino]-1H-pyrazole-4-carbonitrile CAS Name: 5-[(5-butyl-2-oxo-5-phenyl-3-oxolanyl)amino]-1H-pyrazole-4-carbonitrile IUPAC Name: 5-[(5-butyl-2-oxo-5-phenyloxolan-3-yl)amino]-1H-pyrazole-4-carbonitrile Traditional Name: 5-[(5-butyl-2-keto-5-phenyl-tetrahydrofuran-3-yl)amino]-1H-pyrazole-4-carbonitrile Formula: C18H20N4O2 MolecularWeight: 324.377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(C(=O)O1)NC2=C(C=NN2)C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCC1(CC(C(=O)O1)NC2=C(C=NN2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2/c1-2-3-9-18(14-7-5-4-6-8-14)10-15(17(23)24-18)21-16-13(11-19)12-20-22-16/h4-8,12,15H,2-3,9-10H2,1H3,(H2,20,21,22)