(2S)-2-[(4-hydroxyphenyl)-methyl-amino]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone

Systemtic Name: (2S)-2-[(4-hydroxyphenyl)-methyl-amino]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone Openeye Name: (2S)-2-(4-hydroxy-N-methyl-anilino)-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone CAS Name: (2S)-2-(4-hydroxy-N-methylanilino)-1-(1-piperazinyl)-2-(1H-pyrrol-2-yl)ethanone IUPAC Name: (2S)-2-(4-hydroxy-N-methylanilino)-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone Traditional Name: (2S)-2-(4-hydroxy-N-methyl-anilino)-1-piperazino-2-(1H-pyrrol-2-yl)ethanone Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)O)C(C2=CC=CN2)C(=O)N3CCNCC3

Isomeric SMILES

CN(C1=CC=C(C=C1)O)[C@@H](C2=CC=CN2)C(=O)N3CCNCC3

InChI

InChI=1S/C17H22N4O2/c1-20(13-4-6-14(22)7-5-13)16(15-3-2-8-19-15)17(23)21-11-9-18-10-12-21/h2-8,16,18-19,22H,9-12H2,1H3/t16-/m0/s1