(E)-1-[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]-3-pyridin-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]-3-pyridin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[(3S)-3-(3,4-dimethoxyanilino)-1-piperidyl]-3-(2-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[(3S)-3-(3,4-dimethoxyanilino)-1-piperidinyl]-3-(2-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one Traditional Name: (E)-1-[(3S)-3-(3,4-dimethoxyanilino)piperidino]-3-(2-pyridyl)prop-2-en-1-one Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C=CC3=CC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)/C=C/C3=CC=CC=N3)OC

InChI

InChI=1S/C21H25N3O3/c1-26-19-10-8-17(14-20(19)27-2)23-18-7-5-13-24(15-18)21(25)11-9-16-6-3-4-12-22-16/h3-4,6,8-12,14,18,23H,5,7,13,15H2,1-2H3/b11-9+/t18-/m0/s1