2H-benzotriazol-5-yl-[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-yl]methanone

Systemtic Name: 2H-benzotriazol-5-yl-[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[(3S)-3-(3-fluoroanilino)-1-piperidyl]methanone CAS Name: 2H-benzotriazol-5-yl-[(3S)-3-(3-fluoroanilino)-1-piperidinyl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[(3S)-3-(3-fluoroanilino)piperidino]methanone Formula: C18H18FN5O MolecularWeight: 339.366823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=NNN=C3C=C2)NC4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC3=NNN=C3C=C2)NC4=CC(=CC=C4)F

InChI

InChI=1S/C18H18FN5O/c19-13-3-1-4-14(10-13)20-15-5-2-8-24(11-15)18(25)12-6-7-16-17(9-12)22-23-21-16/h1,3-4,6-7,9-10,15,20H,2,5,8,11H2,(H,21,22,23)/t15-/m0/s1