N-butyl-2-[4-(4-methyl-3-pyrrol-1-yl-phenyl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(4-methyl-3-pyrrol-1-yl-phenyl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(4-methyl-3-pyrrol-1-yl-benzoyl)piperazin-1-yl]acetamide CAS Name: N-butyl-2-[4-[[4-methyl-3-(1-pyrrolyl)phenyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-butyl-2-[4-(4-methyl-3-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide Traditional Name: N-butyl-2-[4-(4-methyl-3-pyrrol-1-yl-benzoyl)piperazino]acetamide Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)N3C=CC=C3

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)N3C=CC=C3

InChI

InChI=1S/C22H30N4O2/c1-3-4-9-23-21(27)17-24-12-14-26(15-13-24)22(28)19-8-7-18(2)20(16-19)25-10-5-6-11-25/h5-8,10-11,16H,3-4,9,12-15,17H2,1-2H3,(H,23,27)