(Z)-2-(1-oxidanidylpyridin-1-ium-3-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enenitrile

Systemtic Name: (Z)-2-(1-oxidanidylpyridin-1-ium-3-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enenitrile Openeye Name: (Z)-3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(1-oxidopyridin-1-ium-3-yl)prop-2-enenitrile CAS Name: (Z)-2-(1-oxido-3-pyridin-1-iumyl)-3-[3-(6-propan-2-yl-8-quinolinyl)phenyl]-2-propenenitrile IUPAC Name: (Z)-2-(1-oxidopyridin-1-ium-3-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enenitrile Traditional Name: (Z)-3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(1-oxidopyridin-1-ium-3-yl)acrylonitrile Formula: C26H21N3O MolecularWeight: 391.46444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C=C(C#N)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)/C=C(\C#N)/C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C26H21N3O/c1-18(2)23-14-21-8-4-10-28-26(21)25(15-23)20-7-3-6-19(12-20)13-24(16-27)22-9-5-11-29(30)17-22/h3-15,17-18H,1-2H3/b24-13+