3-(4-chlorophenyl)-4-[4-(phenylmethyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine

Systemtic Name: 3-(4-chlorophenyl)-4-[4-(phenylmethyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)isoxazolo[5,4-d]pyrimidine CAS Name: 3-(4-chlorophenyl)-4-[4-(phenylmethyl)-1-piperazinyl]isoxazolo[5,4-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine Traditional Name: 4-(4-benzylpiperazino)-3-(4-chlorophenyl)isoxazolo[5,4-d]pyrimidine Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C4C(=NOC4=NC=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C4C(=NOC4=NC=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H20ClN5O/c23-18-8-6-17(7-9-18)20-19-21(24-15-25-22(19)29-26-20)28-12-10-27(11-13-28)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2