(1Z)-3-(4-tert-butylphenoxy)-1-(2,3,4,8,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-7-ylidene)butan-2-one

Systemtic Name: (1Z)-3-(4-tert-butylphenoxy)-1-(2,3,4,8,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-7-ylidene)butan-2-one Openeye Name: (1Z)-3-(4-tert-butylphenoxy)-1-(2,3,4,8,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-7-ylidene)butan-2-one CAS Name: (1Z)-3-(4-tert-butylphenoxy)-1-(2,3,4,8,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-7-ylidene)-2-butanone IUPAC Name: (1Z)-3-(4-tert-butylphenoxy)-1-(2,3,4,8,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-7-ylidene)butan-2-one Traditional Name: (1Z)-3-(4-tert-butylphenoxy)-1-(2,3,4,8,9,10-hexahydro-[1,4]dioxepin[2,3-g]isoquinolin-7-ylidene)butan-2-one Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=C1C2=CC3=C(C=C2CCN1)OCCCO3)OC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C(=O)/C=C\1/C2=CC3=C(C=C2CCN1)OCCCO3)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H31NO4/c1-17(31-20-8-6-19(7-9-20)26(2,3)4)23(28)16-22-21-15-25-24(29-12-5-13-30-25)14-18(21)10-11-27-22/h6-9,14-17,27H,5,10-13H2,1-4H3/b22-16-