4-ethanoyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-ethanoyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[3-(4-benzylpiperazino)propyl]-1H-pyrrole-2-carboxamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2/c1-17(26)19-14-20(23-15-19)21(27)22-8-5-9-24-10-12-25(13-11-24)16-18-6-3-2-4-7-18/h2-4,6-7,14-15,23H,5,8-13,16H2,1H3,(H,22,27)