2-(benzotriazol-2-yl)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]ethanone Openeye Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidyl]ethanone CAS Name: 2-(2-benzotriazolyl)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidinyl]ethanone IUPAC Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]ethanone Traditional Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidino]ethanone Formula: C21H23N5O3 MolecularWeight: 393.43902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2N=C3C=CC=CC3=N2)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CN2N=C3C=CC=CC3=N2)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H23N5O3/c27-21(14-26-23-17-5-1-2-6-18(17)24-26)25-9-3-4-16(13-25)22-15-7-8-19-20(12-15)29-11-10-28-19/h1-2,5-8,12,16,22H,3-4,9-11,13-14H2/t16-/m0/s1