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4-[(S)-imidazol-1-yl-(4-oxidanylidenechromen-3-yl)methyl]benzenecarbonitrile

4-[(S)-imidazol-1-yl-(4-oxidanylidenechromen-3-yl)methyl]benzenecarbonitrile

Systemtic Name:4-[(S)-imidazol-1-yl-(4-oxidanylidenechromen-3-yl)methyl]benzenecarbonitrile
Openeye Name:4-[(S)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile
CAS Name:4-[(S)-1-imidazolyl-(4-oxo-1-benzopyran-3-yl)methyl]benzonitrile
IUPAC Name:4-[(S)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile
Traditional Name:4-[(S)-imidazol-1-yl-(4-ketochromen-3-yl)methyl]benzonitrile
Formula: C20H13N3O2
MolecularWeight: 327.33612
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CO2)C(C3=CC=C(C=C3)C#N)N4C=CN=C4


Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CO2)[C@H](C3=CC=C(C=C3)C#N)N4C=CN=C4


InChI

InChI=1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)19(23-10-9-22-13-23)17-12-25-18-4-2-1-3-16(18)20(17)24/h1-10,12-13,19H/t19-/m0/s1


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