(5S)-3-[2-(1H-imidazol-5-yl)ethylamino]-5-(4-methylphenyl)cyclohex-2-en-1-one

Systemtic Name: (5S)-3-[2-(1H-imidazol-5-yl)ethylamino]-5-(4-methylphenyl)cyclohex-2-en-1-one Openeye Name: (5S)-3-[2-(1H-imidazol-5-yl)ethylamino]-5-(p-tolyl)cyclohex-2-en-1-one CAS Name: (5S)-3-[2-(1H-imidazol-5-yl)ethylamino]-5-(4-methylphenyl)-1-cyclohex-2-enone IUPAC Name: (5S)-3-[2-(1H-imidazol-5-yl)ethylamino]-5-(4-methylphenyl)cyclohex-2-en-1-one Traditional Name: (5S)-3-[2-(1H-imidazol-5-yl)ethylamino]-5-(p-tolyl)cyclohex-2-en-1-one Formula: C18H21N3O MolecularWeight: 295.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=CC(=O)C2)NCCC3=CN=CN3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CC(=CC(=O)C2)NCCC3=CN=CN3

InChI

InChI=1S/C18H21N3O/c1-13-2-4-14(5-3-13)15-8-17(10-18(22)9-15)20-7-6-16-11-19-12-21-16/h2-5,10-12,15,20H,6-9H2,1H3,(H,19,21)/t15-/m0/s1