4-[4-(1H-indol-5-yl)-6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(1H-indol-5-yl)-6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl]benzenecarbonitrile Openeye Name: 4-[4-(1H-indol-5-yl)-6,7-dimethoxy-1-oxo-isochromen-3-yl]benzonitrile CAS Name: 4-[4-(1H-indol-5-yl)-6,7-dimethoxy-1-oxo-2-benzopyran-3-yl]benzonitrile IUPAC Name: 4-[4-(1H-indol-5-yl)-6,7-dimethoxy-1-oxoisochromen-3-yl]benzonitrile Traditional Name: 4-[4-(1H-indol-5-yl)-1-keto-6,7-dimethoxy-isochromen-3-yl]benzonitrile Formula: C26H18N2O4 MolecularWeight: 422.43212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CC=C(C=C3)C#N)C4=CC5=C(C=C4)NC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CC=C(C=C3)C#N)C4=CC5=C(C=C4)NC=C5)OC

InChI

InChI=1S/C26H18N2O4/c1-30-22-12-19-20(13-23(22)31-2)26(29)32-25(16-5-3-15(14-27)4-6-16)24(19)18-7-8-21-17(11-18)9-10-28-21/h3-13,28H,1-2H3