2-[3-cyclopropyl-2-(4-methoxyphenyl)-1H-isoquinolin-1-yl]pent-1-en-3-one

Systemtic Name: 2-[3-cyclopropyl-2-(4-methoxyphenyl)-1H-isoquinolin-1-yl]pent-1-en-3-one Openeye Name: 2-[3-cyclopropyl-2-(4-methoxyphenyl)-1H-isoquinolin-1-yl]pent-1-en-3-one CAS Name: 2-[3-cyclopropyl-2-(4-methoxyphenyl)-1H-isoquinolin-1-yl]-1-penten-3-one IUPAC Name: 2-[3-cyclopropyl-2-(4-methoxyphenyl)-1H-isoquinolin-1-yl]pent-1-en-3-one Traditional Name: 2-[3-cyclopropyl-2-(4-methoxyphenyl)-1H-isoquinolin-1-yl]pent-1-en-3-one Formula: C24H25NO2 MolecularWeight: 359.4608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=C)C1C2=CC=CC=C2C=C(N1C3=CC=C(C=C3)OC)C4CC4

Isomeric SMILES

CCC(=O)C(=C)C1C2=CC=CC=C2C=C(N1C3=CC=C(C=C3)OC)C4CC4

InChI

InChI=1S/C24H25NO2/c1-4-23(26)16(2)24-21-8-6-5-7-18(21)15-22(17-9-10-17)25(24)19-11-13-20(27-3)14-12-19/h5-8,11-15,17,24H,2,4,9-10H2,1,3H3