3-[3-(2-oxidanylpropan-2-yl)phenyl]-1-pentyl-cinnolin-4-one

Systemtic Name: 3-[3-(2-oxidanylpropan-2-yl)phenyl]-1-pentyl-cinnolin-4-one Openeye Name: 3-[3-(1-hydroxy-1-methyl-ethyl)phenyl]-1-pentyl-cinnolin-4-one CAS Name: 3-[3-(2-hydroxypropan-2-yl)phenyl]-1-pentyl-4-cinnolinone IUPAC Name: 3-[3-(2-hydroxypropan-2-yl)phenyl]-1-pentylcinnolin-4-one Traditional Name: 1-amyl-3-[3-(1-hydroxy-1-methyl-ethyl)phenyl]cinnolin-4-one Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=O)C(=N1)C3=CC(=CC=C3)C(C)(C)O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(=O)C(=N1)C3=CC(=CC=C3)C(C)(C)O

InChI

InChI=1S/C22H26N2O2/c1-4-5-8-14-24-19-13-7-6-12-18(19)21(25)20(23-24)16-10-9-11-17(15-16)22(2,3)26/h6-7,9-13,15,26H,4-5,8,14H2,1-3H3