2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-4-(3-methylphenoxy)pyrimidine IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine Traditional Name: 2-[4-(3-chlorobenzyl)piperazino]-4-(3-methylphenoxy)pyrimidine Formula: C22H23ClN4O MolecularWeight: 394.89722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O/c1-17-4-2-7-20(14-17)28-21-8-9-24-22(25-21)27-12-10-26(11-13-27)16-18-5-3-6-19(23)15-18/h2-9,14-15H,10-13,16H2,1H3