(2E)-1-(1-adamantyl)-2-[7-(aminomethyl)-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]ethanone

Systemtic Name: (2E)-1-(1-adamantyl)-2-[7-(aminomethyl)-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]ethanone Openeye Name: (2E)-1-(1-adamantyl)-2-[7-(aminomethyl)-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]ethanone CAS Name: (2E)-1-(1-adamantyl)-2-[7-(aminomethyl)-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]ethanone IUPAC Name: (2E)-1-(1-adamantyl)-2-[7-(aminomethyl)-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]ethanone Traditional Name: (2E)-1-(1-adamantyl)-2-[7-(aminomethyl)-6-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]ethanone Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=CC(=O)C34CC5CC(C3)CC(C5)C4)N1)CN)OC)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2/C(=C\C(=O)C34CC5CC(C3)CC(C5)C4)/N1)CN)OC)C

InChI

InChI=1S/C25H34N2O2/c1-24(2)13-18-8-22(29-3)19(14-26)7-20(18)21(27-24)9-23(28)25-10-15-4-16(11-25)6-17(5-15)12-25/h7-9,15-17,27H,4-6,10-14,26H2,1-3H3/b21-9+