1-phenyl-3-[5-piperidin-1-ylpentyl-(4-propoxyphenyl)amino]propan-2-one

Systemtic Name: 1-phenyl-3-[5-piperidin-1-ylpentyl-(4-propoxyphenyl)amino]propan-2-one Openeye Name: 1-phenyl-3-[N-[5-(1-piperidyl)pentyl]-4-propoxy-anilino]propan-2-one CAS Name: 1-phenyl-3-[N-[5-(1-piperidinyl)pentyl]-4-propoxyanilino]-2-propanone IUPAC Name: 1-phenyl-3-[N-(5-piperidin-1-ylpentyl)-4-propoxyanilino]propan-2-one Traditional Name: 1-phenyl-3-[N-(5-piperidinopentyl)-4-propoxy-anilino]acetone Formula: C28H40N2O2 MolecularWeight: 436.6294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CCCCCN2CCCCC2)CC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CCCCCN2CCCCC2)CC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C28H40N2O2/c1-2-22-32-28-16-14-26(15-17-28)30(24-27(31)23-25-12-6-3-7-13-25)21-11-5-10-20-29-18-8-4-9-19-29/h3,6-7,12-17H,2,4-5,8-11,18-24H2,1H3