N-[(2S)-1-(azepan-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(morpholin-4-ylmethyl)-5-oxidanyl-benzamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(morpholin-4-ylmethyl)-5-oxidanyl-benzamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-(hydroxymethyl)-2-oxo-ethyl]-3-hydroxy-5-(morpholinomethyl)benzamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(4-morpholinylmethyl)benzamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(morpholin-4-ylmethyl)benzamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-methylol-ethyl]-3-hydroxy-5-(morpholinomethyl)benzamide Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CO)NC(=O)C2=CC(=CC(=C2)O)CN3CCOCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H](CO)NC(=O)C2=CC(=CC(=C2)O)CN3CCOCC3

InChI

InChI=1S/C21H31N3O5/c25-15-19(21(28)24-5-3-1-2-4-6-24)22-20(27)17-11-16(12-18(26)13-17)14-23-7-9-29-10-8-23/h11-13,19,25-26H,1-10,14-15H2,(H,22,27)/t19-/m0/s1