N-[(2S)-1-(azepan-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-1H-indole-2-carboxamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-(hydroxymethyl)-2-oxo-ethyl]-1H-indole-2-carboxamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-methylol-ethyl]-1H-indole-2-carboxamide Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CO)NC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H](CO)NC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C18H23N3O3/c22-12-16(18(24)21-9-5-1-2-6-10-21)20-17(23)15-11-13-7-3-4-8-14(13)19-15/h3-4,7-8,11,16,19,22H,1-2,5-6,9-10,12H2,(H,20,23)/t16-/m0/s1