1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[3-(ethylamino)-4-methyl-phenoxy]ethanone

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[3-(ethylamino)-4-methyl-phenoxy]ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[3-(ethylamino)-4-methyl-phenoxy]ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-[3-(ethylamino)-4-methylphenoxy]ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[3-(ethylamino)-4-methylphenoxy]ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-2-[3-(ethylamino)-4-methyl-phenoxy]ethanone Formula: C22H28ClN3O2 MolecularWeight: 401.92962

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCNC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H28ClN3O2/c1-3-24-21-14-20(9-4-17(21)2)28-16-22(27)26-12-10-25(11-13-26)15-18-5-7-19(23)8-6-18/h4-9,14,24H,3,10-13,15-16H2,1-2H3