(2Z)-2-[7-(aminomethyl)-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]-1-cycloheptyl-ethanone

Systemtic Name: (2Z)-2-[7-(aminomethyl)-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]-1-cycloheptyl-ethanone Openeye Name: (2Z)-2-[7-(aminomethyl)-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]-1-cycloheptyl-ethanone CAS Name: (2Z)-2-[7-(aminomethyl)-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]-1-cycloheptylethanone IUPAC Name: (2Z)-2-[7-(aminomethyl)-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]-1-cycloheptylethanone Traditional Name: (2Z)-2-[7-(aminomethyl)-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]-1-cycloheptyl-ethanone Formula: C21H30N2O MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C=C2)CN)C(=CC(=O)C3CCCCCC3)N1)C

Isomeric SMILES

CC1(CC2=C(C=C(C=C2)CN)/C(=C/C(=O)C3CCCCCC3)/N1)C

InChI

InChI=1S/C21H30N2O/c1-21(2)13-17-10-9-15(14-22)11-18(17)19(23-21)12-20(24)16-7-5-3-4-6-8-16/h9-12,16,23H,3-8,13-14,22H2,1-2H3/b19-12-