5-(3,4-dimethoxyphenyl)-3-(heptylamino)cyclohex-2-en-1-one

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-(heptylamino)cyclohex-2-en-1-one Openeye Name: 5-(3,4-dimethoxyphenyl)-3-(heptylamino)cyclohex-2-en-1-one CAS Name: 5-(3,4-dimethoxyphenyl)-3-(heptylamino)-1-cyclohex-2-enone IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-(heptylamino)cyclohex-2-en-1-one Traditional Name: 5-(3,4-dimethoxyphenyl)-3-(heptylamino)cyclohex-2-en-1-one Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=CC(=O)CC(C1)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCCCNC1=CC(=O)CC(C1)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H31NO3/c1-4-5-6-7-8-11-22-18-12-17(13-19(23)15-18)16-9-10-20(24-2)21(14-16)25-3/h9-10,14-15,17,22H,4-8,11-13H2,1-3H3