N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(morpholin-4-ylmethyl)-5-oxidanyl-benzamide

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(morpholin-4-ylmethyl)-5-oxidanyl-benzamide Openeye Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(hydroxymethyl)-2-oxo-ethyl]-3-hydroxy-5-(morpholinomethyl)benzamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(4-morpholinylmethyl)benzamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(morpholin-4-ylmethyl)benzamide Traditional Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methylol-ethyl]-3-hydroxy-5-(morpholinomethyl)benzamide Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C(CO)NC(=O)C3=CC(=CC(=C3)O)CN4CCOCC4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)[C@H](CO)NC(=O)C3=CC(=CC(=C3)O)CN4CCOCC4

InChI

InChI=1S/C24H29N3O5/c28-16-22(24(31)27-6-5-18-3-1-2-4-19(18)15-27)25-23(30)20-11-17(12-21(29)13-20)14-26-7-9-32-10-8-26/h1-4,11-13,22,28-29H,5-10,14-16H2,(H,25,30)/t22-/m0/s1