N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(quinolin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(quinolin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-1-(3-quinolylmethyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(3-quinolinylmethyl)-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(quinolin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-1-(3-quinolylmethyl)isonipecotamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)N)CC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)CC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H28N4O2/c26-24(30)23(15-18-6-2-1-3-7-18)28-25(31)20-10-12-29(13-11-20)17-19-14-21-8-4-5-9-22(21)27-16-19/h1-9,14,16,20,23H,10-13,15,17H2,(H2,26,30)(H,28,31)/t23-/m0/s1