1-(oxan-2-yl)-3-phenethyl-indazole-5-carbonitrile

Systemtic Name: 1-(oxan-2-yl)-3-phenethyl-indazole-5-carbonitrile Openeye Name: 3-phenethyl-1-tetrahydropyran-2-yl-indazole-5-carbonitrile CAS Name: 1-(2-oxanyl)-3-phenethyl-5-indazolecarbonitrile IUPAC Name: 1-(oxan-2-yl)-3-phenethylindazole-5-carbonitrile Traditional Name: 3-phenethyl-1-tetrahydropyran-2-yl-indazole-5-carbonitrile Formula: C21H21N3O MolecularWeight: 331.41094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C3=C(C=C(C=C3)C#N)C(=N2)CCC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)N2C3=C(C=C(C=C3)C#N)C(=N2)CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O/c22-15-17-10-12-20-18(14-17)19(11-9-16-6-2-1-3-7-16)23-24(20)21-8-4-5-13-25-21/h1-3,6-7,10,12,14,21H,4-5,8-9,11,13H2