N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-[(2-ethoxypyridin-3-yl)methyl]piperidine-3-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-[(2-ethoxypyridin-3-yl)methyl]piperidine-3-carboxamide Openeye Name: N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-[(2-ethoxy-3-pyridyl)methyl]piperidine-3-carboxamide CAS Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[(2-ethoxy-3-pyridinyl)methyl]-3-piperidinecarboxamide IUPAC Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[(2-ethoxypyridin-3-yl)methyl]piperidine-3-carboxamide Traditional Name: N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-[(2-ethoxy-3-pyridyl)methyl]nipecotamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CN2CCCC(C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N

Isomeric SMILES

CCOC1=C(C=CC=N1)CN2CCCC(C2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C25H31N5O3/c1-2-33-25-18(7-5-11-27-25)16-30-12-6-8-17(15-30)24(32)29-22(23(26)31)13-19-14-28-21-10-4-3-9-20(19)21/h3-5,7,9-11,14,17,22,28H,2,6,8,12-13,15-16H2,1H3,(H2,26,31)(H,29,32)/t17?,22-/m0/s1