2-[4-[4-[5-(4-chlorophenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]isoindole

Systemtic Name: 2-[4-[4-[5-(4-chlorophenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]isoindole Openeye Name: 2-[4-[4-[5-(4-chlorophenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]isoindole CAS Name: 2-[4-[4-[5-(4-chlorophenyl)-2-pyrimidinyl]-1-piperazinyl]butyl]isoindole IUPAC Name: 2-[4-[4-[5-(4-chlorophenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]isoindole Traditional Name: 2-[4-[4-[5-(4-chlorophenyl)pyrimidin-2-yl]piperazino]butyl]isoindole Formula: C26H28ClN5 MolecularWeight: 445.98702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C=C3C=CC=CC3=C2)C4=NC=C(C=N4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCCN2C=C3C=CC=CC3=C2)C4=NC=C(C=N4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H28ClN5/c27-25-9-7-21(8-10-25)24-17-28-26(29-18-24)32-15-13-30(14-16-32)11-3-4-12-31-19-22-5-1-2-6-23(22)20-31/h1-2,5-10,17-20H,3-4,11-16H2