(3S)-N-[3-(benzotriazol-1-yl)propyl]-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-6-oxo-1-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-N-[3-(1-benzotriazolyl)propyl]-6-oxo-1-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-6-keto-1-(2-pyridylmethyl)nipecotamide Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCCCN2C3=CC=CC=C3N=N2)CC4=CC=CC=N4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCCCN2C3=CC=CC=C3N=N2)CC4=CC=CC=N4

InChI

InChI=1S/C21H24N6O2/c28-20-10-9-16(14-26(20)15-17-6-3-4-11-22-17)21(29)23-12-5-13-27-19-8-2-1-7-18(19)24-25-27/h1-4,6-8,11,16H,5,9-10,12-15H2,(H,23,29)/t16-/m0/s1