3-[1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)propanenitrile

Systemtic Name: 3-[1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)propanenitrile Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanenitrile CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxo-2-benzo[f]isoindolyl)propanenitrile IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanenitrile Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(1,3-diketobenz[f]isoindol-2-yl)propionitrile Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC#N)N2C(=O)C3=CC4=CC=CC=C4C=C3C2=O)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC#N)N2C(=O)C3=CC4=CC=CC=C4C=C3C2=O)OC5CCCC5

InChI

InChI=1S/C27H24N2O4/c1-32-24-11-10-19(16-25(24)33-20-8-4-5-9-20)23(12-13-28)29-26(30)21-14-17-6-2-3-7-18(17)15-22(21)27(29)31/h2-3,6-7,10-11,14-16,20,23H,4-5,8-9,12H2,1H3