1-[4-[3-[4-(1-methylpyrrol-2-yl)carbonylpiperazin-1-yl]propoxy]phenyl]hexan-1-one

Systemtic Name: 1-[4-[3-[4-(1-methylpyrrol-2-yl)carbonylpiperazin-1-yl]propoxy]phenyl]hexan-1-one Openeye Name: 1-[4-[3-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one CAS Name: 1-[4-[3-[4-[(1-methyl-2-pyrrolyl)-oxomethyl]-1-piperazinyl]propoxy]phenyl]-1-hexanone IUPAC Name: 1-[4-[3-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one Traditional Name: 1-[4-[3-[4-(1-methylpyrrole-2-carbonyl)piperazino]propoxy]phenyl]hexan-1-one Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)C3=CC=CN3C

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)C3=CC=CN3C

InChI

InChI=1S/C25H35N3O3/c1-3-4-5-9-24(29)21-10-12-22(13-11-21)31-20-7-15-27-16-18-28(19-17-27)25(30)23-8-6-14-26(23)2/h6,8,10-14H,3-5,7,9,15-20H2,1-2H3