2-(benzotriazol-2-yl)-1-[(3S)-3-[methyl-(phenylmethyl)amino]piperidin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-[methyl-(phenylmethyl)amino]piperidin-1-yl]ethanone Openeye Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-[benzyl(methyl)amino]-1-piperidyl]ethanone CAS Name: 2-(2-benzotriazolyl)-1-[(3S)-3-[methyl-(phenylmethyl)amino]-1-piperidinyl]ethanone IUPAC Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone Traditional Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-[benzyl(methyl)amino]piperidino]ethanone Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCCN(C2)C(=O)CN3N=C4C=CC=CC4=N3

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CN3N=C4C=CC=CC4=N3

InChI

InChI=1S/C21H25N5O/c1-24(14-17-8-3-2-4-9-17)18-10-7-13-25(15-18)21(27)16-26-22-19-11-5-6-12-20(19)23-26/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3/t18-/m0/s1