(E)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-3-pyridin-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-3-pyridin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidyl]-3-(2-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidinyl]-3-(2-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one Traditional Name: (E)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidino]-3-(2-pyridyl)prop-2-en-1-one Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=CC=N2)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)/C=C/C2=CC=CC=N2)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O3/c25-21(9-7-16-4-1-2-10-22-16)24-11-3-5-18(15-24)23-17-6-8-19-20(14-17)27-13-12-26-19/h1-2,4,6-10,14,18,23H,3,5,11-13,15H2/b9-7+/t18-/m0/s1