2-[1-(3,4-dipropoxyphenyl)-3-imidazol-1-yl-3-oxidanylidene-propyl]isoindole-1,3-dione

Systemtic Name: 2-[1-(3,4-dipropoxyphenyl)-3-imidazol-1-yl-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[1-(3,4-dipropoxyphenyl)-3-imidazol-1-yl-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[1-(3,4-dipropoxyphenyl)-3-(1-imidazolyl)-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[1-(3,4-dipropoxyphenyl)-3-imidazol-1-yl-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[1-(3,4-dipropoxyphenyl)-3-imidazol-1-yl-3-keto-propyl]isoindoline-1,3-quinone Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(CC(=O)N2C=CN=C2)N3C(=O)C4=CC=CC=C4C3=O)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(CC(=O)N2C=CN=C2)N3C(=O)C4=CC=CC=C4C3=O)OCCC

InChI

InChI=1S/C26H27N3O5/c1-3-13-33-22-10-9-18(15-23(22)34-14-4-2)21(16-24(30)28-12-11-27-17-28)29-25(31)19-7-5-6-8-20(19)26(29)32/h5-12,15,17,21H,3-4,13-14,16H2,1-2H3