(2S)-4-[2-(4-hydroxyphenyl)ethyl]-N-methyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: (2S)-4-[2-(4-hydroxyphenyl)ethyl]-N-methyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide Openeye Name: (2S)-N-benzyl-4-[2-(4-hydroxyphenyl)ethyl]-N-methyl-6-oxo-piperazine-2-carboxamide CAS Name: (2S)-4-[2-(4-hydroxyphenyl)ethyl]-N-methyl-6-oxo-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: (2S)-N-benzyl-4-[2-(4-hydroxyphenyl)ethyl]-N-methyl-6-oxopiperazine-2-carboxamide Traditional Name: (2S)-N-benzyl-4-[2-(4-hydroxyphenyl)ethyl]-6-keto-N-methyl-piperazine-2-carboxamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2CN(CC(=O)N2)CCC3=CC=C(C=C3)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@@H]2CN(CC(=O)N2)CCC3=CC=C(C=C3)O

InChI

InChI=1S/C21H25N3O3/c1-23(13-17-5-3-2-4-6-17)21(27)19-14-24(15-20(26)22-19)12-11-16-7-9-18(25)10-8-16/h2-10,19,25H,11-15H2,1H3,(H,22,26)/t19-/m0/s1