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

Systemtic Name: 1-[4-[3-[4-(2-azanyl-3-phenylmethoxy-propanoyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one Openeye Name: 1-[4-[3-[4-(2-amino-3-benzyloxy-propanoyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one CAS Name: 1-[4-[3-[4-(2-amino-1-oxo-3-phenylmethoxypropyl)-1-piperazinyl]propoxy]phenyl]-1-hexanone IUPAC Name: 1-[4-[3-[4-(2-amino-3-phenylmethoxypropanoyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one Traditional Name: 1-[4-[3-[4-(2-amino-3-benzoxy-propanoyl)piperazino]propoxy]phenyl]hexan-1-one Formula: C29H41N3O4 MolecularWeight: 495.65354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)C(COCC3=CC=CC=C3)N

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)C(COCC3=CC=CC=C3)N

InChI

InChI=1S/C29H41N3O4/c1-2-3-5-11-28(33)25-12-14-26(15-13-25)36-21-8-16-31-17-19-32(20-18-31)29(34)27(30)23-35-22-24-9-6-4-7-10-24/h4,6-7,9-10,12-15,27H,2-3,5,8,11,16-23,30H2,1H3