3-(3,4-dimethoxyphenyl)-1-[(3S)-3-phenylazanylpiperidin-1-yl]propan-1-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[(3S)-3-phenylazanylpiperidin-1-yl]propan-1-one Openeye Name: 1-[(3S)-3-anilino-1-piperidyl]-3-(3,4-dimethoxyphenyl)propan-1-one CAS Name: 1-[(3S)-3-anilino-1-piperidinyl]-3-(3,4-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[(3S)-3-anilinopiperidin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one Traditional Name: 1-[(3S)-3-anilinopiperidino]-3-(3,4-dimethoxyphenyl)propan-1-one Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCCC(C2)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCC[C@@H](C2)NC3=CC=CC=C3)OC

InChI

InChI=1S/C22H28N2O3/c1-26-20-12-10-17(15-21(20)27-2)11-13-22(25)24-14-6-9-19(16-24)23-18-7-4-3-5-8-18/h3-5,7-8,10,12,15,19,23H,6,9,11,13-14,16H2,1-2H3/t19-/m0/s1