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

Systemtic Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-6-oxidanylidene-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-6-oxo-1-[2-(2-pyridyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-N-[3-(1-benzotriazolyl)propyl]-6-oxo-1-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-6-keto-1-[2-(2-pyridyl)ethyl]nipecotamide Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCCCN2C3=CC=CC=C3N=N2)CCC4=CC=CC=N4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCCCN2C3=CC=CC=C3N=N2)CCC4=CC=CC=N4

InChI

InChI=1S/C22H26N6O2/c29-21-10-9-17(16-27(21)15-11-18-6-3-4-12-23-18)22(30)24-13-5-14-28-20-8-2-1-7-19(20)25-26-28/h1-4,6-8,12,17H,5,9-11,13-16H2,(H,24,30)/t17-/m0/s1