3-[2-(2,5-dimethyl-1H-indol-3-yl)ethylamino]-5-phenyl-2-propanoyl-cyclohex-3-en-1-one

Systemtic Name: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethylamino]-5-phenyl-2-propanoyl-cyclohex-3-en-1-one Openeye Name: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethylamino]-5-phenyl-2-propanoyl-cyclohex-3-en-1-one CAS Name: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethylamino]-2-(1-oxopropyl)-5-phenyl-1-cyclohex-3-enone IUPAC Name: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethylamino]-5-phenyl-2-propanoylcyclohex-3-en-1-one Traditional Name: 3-[2-(2,5-dimethyl-1H-indol-3-yl)ethylamino]-5-phenyl-2-propionyl-cyclohex-3-en-1-one Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(=O)CC(C=C1NCCC2=C(NC3=C2C=C(C=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1C(=O)CC(C=C1NCCC2=C(NC3=C2C=C(C=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c1-4-25(30)27-24(15-20(16-26(27)31)19-8-6-5-7-9-19)28-13-12-21-18(3)29-23-11-10-17(2)14-22(21)23/h5-11,14-15,20,27-29H,4,12-13,16H2,1-3H3