N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-phenylpiperazin-1-yl)methyl]-4-pyrimidin-2-yl-phenoxy]ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-phenylpiperazin-1-yl)methyl]-4-pyrimidin-2-yl-phenoxy]ethanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-phenylpiperazin-1-yl)methyl]-4-pyrimidin-2-yl-phenoxy]acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-phenyl-1-piperazinyl)methyl]-4-(2-pyrimidinyl)phenoxy]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-phenylpiperazin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-phenylpiperazino)methyl]-4-(2-pyrimidyl)phenoxy]acetamide Formula: C32H35N5O3 MolecularWeight: 537.652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)COC2=C(C=C(C=C2)C3=NC=CC=N3)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)COC2=C(C=C(C=C2)C3=NC=CC=N3)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C32H35N5O3/c1-39-29-11-8-25(9-12-29)14-17-33-31(38)24-40-30-13-10-26(32-34-15-5-16-35-32)22-27(30)23-36-18-20-37(21-19-36)28-6-3-2-4-7-28/h2-13,15-16,22H,14,17-21,23-24H2,1H3,(H,33,38)