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

Systemtic Name: 1-[4-[3-[4-[(2R)-2-azanyl-3-pyridin-4-yl-propanoyl]piperazin-1-yl]propoxy]phenyl]hexan-1-one Openeye Name: 1-[4-[3-[4-[(2R)-2-amino-3-(4-pyridyl)propanoyl]piperazin-1-yl]propoxy]phenyl]hexan-1-one CAS Name: 1-[4-[3-[4-[(2R)-2-amino-1-oxo-3-pyridin-4-ylpropyl]-1-piperazinyl]propoxy]phenyl]-1-hexanone IUPAC Name: 1-[4-[3-[4-[(2R)-2-amino-3-pyridin-4-ylpropanoyl]piperazin-1-yl]propoxy]phenyl]hexan-1-one Traditional Name: 1-[4-[3-[4-[(2R)-2-amino-3-(4-pyridyl)propanoyl]piperazino]propoxy]phenyl]hexan-1-one Formula: C27H38N4O3 MolecularWeight: 466.61562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)C(CC3=CC=NC=C3)N

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)[C@@H](CC3=CC=NC=C3)N

InChI

InChI=1S/C27H38N4O3/c1-2-3-4-6-26(32)23-7-9-24(10-8-23)34-20-5-15-30-16-18-31(19-17-30)27(33)25(28)21-22-11-13-29-14-12-22/h7-14,25H,2-6,15-21,28H2,1H3/t25-/m1/s1