4-[3-(imidazol-1-ylmethyl)-7-methoxy-4-oxidanylidene-chromen-2-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(imidazol-1-ylmethyl)-7-methoxy-4-oxidanylidene-chromen-2-yl]benzenecarbonitrile Openeye Name: 4-[3-(imidazol-1-ylmethyl)-7-methoxy-4-oxo-chromen-2-yl]benzonitrile CAS Name: 4-[3-(1-imidazolylmethyl)-7-methoxy-4-oxo-1-benzopyran-2-yl]benzonitrile IUPAC Name: 4-[3-(imidazol-1-ylmethyl)-7-methoxy-4-oxochromen-2-yl]benzonitrile Traditional Name: 4-[3-(imidazol-1-ylmethyl)-4-keto-7-methoxy-chromen-2-yl]benzonitrile Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C#N)CN4C=CN=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C#N)CN4C=CN=C4

InChI

InChI=1S/C21H15N3O3/c1-26-16-6-7-17-19(10-16)27-21(15-4-2-14(11-22)3-5-15)18(20(17)25)12-24-9-8-23-13-24/h2-10,13H,12H2,1H3