N-[(2S)-1-(azepan-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanyl-5-pyrrol-1-yl-benzamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-(hydroxymethyl)-2-oxo-ethyl]-2-hydroxy-5-pyrrol-1-yl-benzamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-hydroxy-1-oxopropan-2-yl]-2-hydroxy-5-(1-pyrrolyl)benzamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-2-hydroxy-5-pyrrol-1-ylbenzamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-methylol-ethyl]-2-hydroxy-5-pyrrol-1-yl-benzamide Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CO)NC(=O)C2=C(C=CC(=C2)N3C=CC=C3)O

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H](CO)NC(=O)C2=C(C=CC(=C2)N3C=CC=C3)O

InChI

InChI=1S/C20H25N3O4/c24-14-17(20(27)23-11-3-1-2-4-12-23)21-19(26)16-13-15(7-8-18(16)25)22-9-5-6-10-22/h5-10,13,17,24-25H,1-4,11-12,14H2,(H,21,26)/t17-/m0/s1