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

Systemtic Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-6-oxidanylidene-1-phenethyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-6-oxo-1-phenethyl-piperidine-3-carboxamide CAS Name: (3S)-N-[3-(1-benzotriazolyl)propyl]-6-oxo-1-phenethyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-6-oxo-1-phenethylpiperidine-3-carboxamide Traditional Name: (3S)-N-[3-(benzotriazol-1-yl)propyl]-6-keto-1-phenethyl-nipecotamide Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCCCN2C3=CC=CC=C3N=N2)CCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCCCN2C3=CC=CC=C3N=N2)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c29-22-12-11-19(17-27(22)16-13-18-7-2-1-3-8-18)23(30)24-14-6-15-28-21-10-5-4-9-20(21)25-26-28/h1-5,7-10,19H,6,11-17H2,(H,24,30)/t19-/m0/s1