4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(6-oxidanylidene-1-propyl-pyridin-3-yl)benzenecarbonitrile

Systemtic Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(6-oxidanylidene-1-propyl-pyridin-3-yl)benzenecarbonitrile Openeye Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(6-oxo-1-propyl-3-pyridyl)benzonitrile CAS Name: 4-[[(4-cyanophenyl)-(3-methyl-4-imidazolyl)methoxy]methyl]-3-(6-oxo-1-propyl-3-pyridinyl)benzonitrile IUPAC Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(6-oxo-1-propylpyridin-3-yl)benzonitrile Traditional Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(6-keto-1-propyl-3-pyridyl)benzonitrile Formula: C28H25N5O2 MolecularWeight: 463.5304

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=CC1=O)C2=C(C=CC(=C2)C#N)COC(C3=CC=C(C=C3)C#N)C4=CN=CN4C

Isomeric SMILES

CCCN1C=C(C=CC1=O)C2=C(C=CC(=C2)C#N)COC(C3=CC=C(C=C3)C#N)C4=CN=CN4C

InChI

InChI=1S/C28H25N5O2/c1-3-12-33-17-23(10-11-27(33)34)25-13-21(15-30)6-9-24(25)18-35-28(26-16-31-19-32(26)2)22-7-4-20(14-29)5-8-22/h4-11,13,16-17,19,28H,3,12,18H2,1-2H3