(E)-1-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-3-pyridin-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-3-pyridin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]-3-(2-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]-3-(2-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one Traditional Name: (E)-1-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidino]-3-(2-pyridyl)prop-2-en-1-one Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=CC=N2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)/C=C/C2=CC=CC=N2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25N3O/c26-22(11-10-20-8-3-4-13-23-20)25-14-5-9-21(17-25)24-15-12-18-6-1-2-7-19(18)16-24/h1-4,6-8,10-11,13,21H,5,9,12,14-17H2/b11-10+/t21-/m0/s1