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

Systemtic Name: 2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine Openeye Name: 2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine CAS Name: 2-[4-[(2,4-dichlorophenyl)methyl]-1-piperazinyl]-4-(3-methylphenoxy)pyrimidine IUPAC Name: 2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-4-(3-methylphenoxy)pyrimidine Traditional Name: 2-[4-(2,4-dichlorobenzyl)piperazino]-4-(3-methylphenoxy)pyrimidine Formula: C22H22Cl2N4O MolecularWeight: 429.34228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22Cl2N4O/c1-16-3-2-4-19(13-16)29-21-7-8-25-22(26-21)28-11-9-27(10-12-28)15-17-5-6-18(23)14-20(17)24/h2-8,13-14H,9-12,15H2,1H3