1-[4-[3-[4-[(2R)-2-azanylpropanoyl]piperazin-1-yl]propoxy]phenyl]hexan-1-one

Systemtic Name: 1-[4-[3-[4-[(2R)-2-azanylpropanoyl]piperazin-1-yl]propoxy]phenyl]hexan-1-one Openeye Name: 1-[4-[3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]propoxy]phenyl]hexan-1-one CAS Name: 1-[4-[3-[4-[(2R)-2-amino-1-oxopropyl]-1-piperazinyl]propoxy]phenyl]-1-hexanone IUPAC Name: 1-[4-[3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]propoxy]phenyl]hexan-1-one Traditional Name: 1-[4-[3-[4-[(2R)-2-aminopropanoyl]piperazino]propoxy]phenyl]hexan-1-one Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)C(C)N

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)[C@@H](C)N

InChI

InChI=1S/C22H35N3O3/c1-3-4-5-7-21(26)19-8-10-20(11-9-19)28-17-6-12-24-13-15-25(16-14-24)22(27)18(2)23/h8-11,18H,3-7,12-17,23H2,1-2H3/t18-/m1/s1