(3S,6S)-3-methyl-2-[(4-morpholin-4-ylphenyl)methylidene]-6-propan-2-yl-cyclohexan-1-one

Systemtic Name: (3S,6S)-3-methyl-2-[(4-morpholin-4-ylphenyl)methylidene]-6-propan-2-yl-cyclohexan-1-one Openeye Name: (3S,6S)-6-isopropyl-3-methyl-2-[(4-morpholinophenyl)methylene]cyclohexanone CAS Name: (3S,6S)-3-methyl-2-[[4-(4-morpholinyl)phenyl]methylidene]-6-propan-2-yl-1-cyclohexanone IUPAC Name: (3S,6S)-3-methyl-2-[(4-morpholin-4-ylphenyl)methylidene]-6-propan-2-ylcyclohexan-1-one Traditional Name: (3S,6S)-6-isopropyl-3-methyl-2-(4-morpholinobenzylidene)cyclohexanone Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1=CC2=CC=C(C=C2)N3CCOCC3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H](C(=O)C1=CC2=CC=C(C=C2)N3CCOCC3)C(C)C

InChI

InChI=1S/C21H29NO2/c1-15(2)19-9-4-16(3)20(21(19)23)14-17-5-7-18(8-6-17)22-10-12-24-13-11-22/h5-8,14-16,19H,4,9-13H2,1-3H3/t16-,19-/m0/s1